USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 907 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 LYS NZ :NH3+ -126:sc= 1.09 (180deg=-0.193) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.287 K(o=1.4,f=-12!) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.186! X(o=0.87!,f=0.97) USER MOD Set 2.2: A 97 TYR OH : rot 176:sc= 1.06 USER MOD Set 3.1: A 15 TYR OH : rot 43:sc= -0.316 USER MOD Set 3.2: A 46 SER OG : rot 65:sc= 1.9 USER MOD Single : A 8 GLN : amide:sc= -0.0811 X(o=-0.081,f=-0.54) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= 1.35 (180deg=0.424) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= 1.26 (180deg=0.557) USER MOD Single : A 26 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.7!) USER MOD Single : A 28 SER OG : rot -167:sc= 0.586 USER MOD Single : A 29 SER OG : rot 42:sc= 0.015 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.398 K(o=0.4,f=-5.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 70:sc= 1.1 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot -124:sc= 0.237 USER MOD Single : A 59 CYS SG : rot 170:sc= 1.97 USER MOD Single : A 69 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.47) USER MOD Single : A 72 ASN : amide:sc= -0.533 X(o=-0.53,f=-1) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.083) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -19:sc= 0.778 USER MOD Single : A 86 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.96) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.854 USER MOD Single : A 92 TYR OH : rot 60:sc= -1.56! USER MOD Single : A 94 TYR OH : rot -98:sc= 0.385 USER MOD Single : A 96 MET CE :methyl -143:sc= -0.0906 (180deg=-1.72) USER MOD Single : A 98 GLN : amide:sc= -0.0426 K(o=-0.043,f=-0.56) USER MOD Single : A 99 SER OG : rot -87:sc= 1.06 USER MOD Single : A 102 ASN : amide:sc= -0.639 K(o=-0.64,f=-0.047) USER MOD Single : A 105 CYS SG : rot -31:sc= 0.202 USER MOD Single : A 106 ASN : amide:sc= 0.677 K(o=0.68,f=-1.1) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0075 USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 10.085 12.196 -2.562 1.00 0.00 N ATOM 46 CA GLU A 4 10.523 11.157 -1.627 1.00 0.00 C ATOM 47 C GLU A 4 10.427 9.771 -2.264 1.00 0.00 C ATOM 48 O GLU A 4 11.268 8.905 -2.012 1.00 0.00 O ATOM 49 CB GLU A 4 9.721 11.180 -0.315 1.00 0.00 C ATOM 50 CG GLU A 4 9.914 12.442 0.525 1.00 0.00 C ATOM 51 CD GLU A 4 8.973 13.568 0.135 1.00 0.00 C ATOM 52 OE1 GLU A 4 9.319 14.372 -0.762 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.873 13.656 0.725 1.00 0.00 O ATOM 0 HA GLU A 4 11.565 11.372 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.662 11.074 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.003 10.314 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.762 12.198 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.943 12.785 0.423 1.00 0.00 H new ATOM 60 N LEU A 5 9.406 9.560 -3.096 1.00 0.00 N ATOM 61 CA LEU A 5 9.281 8.295 -3.805 1.00 0.00 C ATOM 62 C LEU A 5 10.242 8.274 -4.990 1.00 0.00 C ATOM 63 O LEU A 5 11.012 7.333 -5.146 1.00 0.00 O ATOM 64 CB LEU A 5 7.831 8.023 -4.262 1.00 0.00 C ATOM 65 CG LEU A 5 7.593 6.618 -4.884 1.00 0.00 C ATOM 66 CD1 LEU A 5 6.205 6.079 -4.546 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.788 6.635 -6.401 1.00 0.00 C ATOM 0 H LEU A 5 8.669 10.237 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 5 9.544 7.494 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.167 8.142 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.548 8.780 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 5 8.337 5.953 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.076 5.096 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.100 5.997 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.446 6.759 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.614 5.636 -6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.083 7.334 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.806 6.946 -6.633 1.00 0.00 H new ATOM 79 N GLU A 6 10.226 9.340 -5.786 1.00 0.00 N ATOM 80 CA GLU A 6 11.040 9.422 -7.008 1.00 0.00 C ATOM 81 C GLU A 6 12.544 9.509 -6.698 1.00 0.00 C ATOM 82 O GLU A 6 13.370 9.456 -7.608 1.00 0.00 O ATOM 83 CB GLU A 6 10.612 10.644 -7.837 1.00 0.00 C ATOM 84 CG GLU A 6 9.139 10.639 -8.242 1.00 0.00 C ATOM 85 CD GLU A 6 8.754 11.854 -9.075 1.00 0.00 C ATOM 86 OE1 GLU A 6 8.938 11.817 -10.309 1.00 0.00 O ATOM 87 OE2 GLU A 6 8.280 12.859 -8.501 1.00 0.00 O ATOM 0 H GLU A 6 9.656 10.167 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 6 10.872 8.507 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.817 11.548 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.225 10.692 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.925 9.733 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.520 10.608 -7.345 1.00 0.00 H new ATOM 94 N ALA A 7 12.879 9.646 -5.414 1.00 0.00 N ATOM 95 CA ALA A 7 14.265 9.822 -4.960 1.00 0.00 C ATOM 96 C ALA A 7 15.249 8.821 -5.587 1.00 0.00 C ATOM 97 O ALA A 7 16.188 9.223 -6.283 1.00 0.00 O ATOM 98 CB ALA A 7 14.324 9.729 -3.438 1.00 0.00 C ATOM 0 H ALA A 7 12.197 9.638 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 7 14.580 10.811 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.354 9.860 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.700 10.508 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.961 8.752 -3.119 1.00 0.00 H new ATOM 104 N GLN A 8 15.050 7.526 -5.331 1.00 0.00 N ATOM 105 CA GLN A 8 16.007 6.506 -5.777 1.00 0.00 C ATOM 106 C GLN A 8 15.873 6.254 -7.281 1.00 0.00 C ATOM 107 O GLN A 8 14.764 6.216 -7.824 1.00 0.00 O ATOM 108 CB GLN A 8 15.824 5.202 -4.988 1.00 0.00 C ATOM 109 CG GLN A 8 15.958 5.365 -3.476 1.00 0.00 C ATOM 110 CD GLN A 8 17.311 5.916 -3.049 1.00 0.00 C ATOM 111 OE1 GLN A 8 18.332 5.687 -3.701 1.00 0.00 O ATOM 112 NE2 GLN A 8 17.326 6.645 -1.945 1.00 0.00 N ATOM 0 H GLN A 8 14.245 7.160 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 8 17.013 6.880 -5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.841 4.789 -5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.561 4.476 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.173 6.031 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.799 4.399 -2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.460 6.813 -1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.203 7.040 -1.606 1.00 0.00 H new ATOM 121 N THR A 9 17.007 6.031 -7.938 1.00 0.00 N ATOM 122 CA THR A 9 17.081 6.054 -9.396 1.00 0.00 C ATOM 123 C THR A 9 16.866 4.676 -10.033 1.00 0.00 C ATOM 124 O THR A 9 17.296 3.648 -9.502 1.00 0.00 O ATOM 125 CB THR A 9 18.443 6.631 -9.847 1.00 0.00 C ATOM 126 OG1 THR A 9 18.694 7.862 -9.150 1.00 0.00 O ATOM 127 CG2 THR A 9 18.474 6.886 -11.353 1.00 0.00 C ATOM 0 H THR A 9 17.896 5.830 -7.479 1.00 0.00 H new ATOM 0 HA THR A 9 16.267 6.693 -9.740 1.00 0.00 H new ATOM 0 HB THR A 9 19.215 5.898 -9.612 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.558 8.228 -9.433 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.446 7.291 -11.633 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.304 5.949 -11.884 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.694 7.600 -11.617 1.00 0.00 H new ATOM 135 N ARG A 10 16.145 4.689 -11.160 1.00 0.00 N ATOM 136 CA ARG A 10 15.881 3.509 -11.998 1.00 0.00 C ATOM 137 C ARG A 10 15.190 2.371 -11.224 1.00 0.00 C ATOM 138 O ARG A 10 14.947 1.296 -11.770 1.00 0.00 O ATOM 139 CB ARG A 10 17.198 3.011 -12.624 1.00 0.00 C ATOM 140 CG ARG A 10 17.020 1.912 -13.669 1.00 0.00 C ATOM 141 CD ARG A 10 18.353 1.442 -14.236 1.00 0.00 C ATOM 142 NE ARG A 10 19.071 2.517 -14.924 1.00 0.00 N ATOM 143 CZ ARG A 10 20.322 2.413 -15.373 1.00 0.00 C ATOM 144 NH1 ARG A 10 21.006 1.287 -15.206 1.00 0.00 N ATOM 145 NH2 ARG A 10 20.894 3.435 -15.989 1.00 0.00 N ATOM 0 H ARG A 10 15.718 5.540 -11.525 1.00 0.00 H new ATOM 0 HA ARG A 10 15.190 3.816 -12.784 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.710 3.856 -13.085 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.847 2.640 -11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.499 1.066 -13.220 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.391 2.281 -14.479 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.973 1.053 -13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.181 0.620 -14.931 1.00 0.00 H new ATOM 0 HE ARG A 10 18.583 3.401 -15.069 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.575 0.494 -14.731 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.963 1.215 -15.552 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.378 4.305 -16.121 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.851 3.353 -16.332 1.00 0.00 H new ATOM 159 N VAL A 11 14.839 2.618 -9.969 1.00 0.00 N ATOM 160 CA VAL A 11 14.061 1.663 -9.188 1.00 0.00 C ATOM 161 C VAL A 11 12.671 2.223 -8.911 1.00 0.00 C ATOM 162 O VAL A 11 11.661 1.544 -9.103 1.00 0.00 O ATOM 163 CB VAL A 11 14.775 1.275 -7.862 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.112 2.507 -7.025 1.00 0.00 C ATOM 165 CG2 VAL A 11 13.933 0.281 -7.058 1.00 0.00 C ATOM 0 H VAL A 11 15.081 3.473 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 11 13.966 0.751 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 11 15.715 0.790 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.610 2.197 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.772 3.163 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.195 3.041 -6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.454 0.025 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.970 0.731 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.775 -0.622 -7.647 1.00 0.00 H new ATOM 175 N LYS A 12 12.624 3.486 -8.495 1.00 0.00 N ATOM 176 CA LYS A 12 11.366 4.111 -8.103 1.00 0.00 C ATOM 177 C LYS A 12 10.615 4.620 -9.330 1.00 0.00 C ATOM 178 O LYS A 12 9.389 4.672 -9.334 1.00 0.00 O ATOM 179 CB LYS A 12 11.625 5.256 -7.118 1.00 0.00 C ATOM 180 CG LYS A 12 12.394 4.834 -5.863 1.00 0.00 C ATOM 181 CD LYS A 12 11.630 3.811 -5.021 1.00 0.00 C ATOM 182 CE LYS A 12 10.373 4.400 -4.380 1.00 0.00 C ATOM 183 NZ LYS A 12 10.685 5.376 -3.300 1.00 0.00 N ATOM 0 H LYS A 12 13.440 4.094 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 12 10.747 3.362 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.184 6.041 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.670 5.688 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.356 4.413 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.603 5.715 -5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.351 2.965 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.286 3.426 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.775 4.892 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.766 3.593 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.835 5.539 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.444 4.997 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.994 6.274 -3.723 1.00 0.00 H new ATOM 197 N LEU A 13 11.365 4.980 -10.371 1.00 0.00 N ATOM 198 CA LEU A 13 10.779 5.472 -11.620 1.00 0.00 C ATOM 199 C LEU A 13 9.988 4.358 -12.309 1.00 0.00 C ATOM 200 O LEU A 13 8.868 4.569 -12.779 1.00 0.00 O ATOM 201 CB LEU A 13 11.870 6.011 -12.566 1.00 0.00 C ATOM 202 CG LEU A 13 12.585 7.301 -12.111 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.435 7.063 -10.864 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.440 7.866 -13.242 1.00 0.00 C ATOM 0 H LEU A 13 12.384 4.940 -10.375 1.00 0.00 H new ATOM 0 HA LEU A 13 10.102 6.291 -11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.621 5.233 -12.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.419 6.194 -13.541 1.00 0.00 H new ATOM 0 HG LEU A 13 11.818 8.031 -11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.923 7.993 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.798 6.718 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.191 6.308 -11.078 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.937 8.775 -12.903 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.189 7.130 -13.534 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.805 8.096 -14.098 1.00 0.00 H new ATOM 216 N ASN A 14 10.584 3.170 -12.350 1.00 0.00 N ATOM 217 CA ASN A 14 9.941 1.991 -12.929 1.00 0.00 C ATOM 218 C ASN A 14 8.650 1.679 -12.171 1.00 0.00 C ATOM 219 O ASN A 14 7.571 1.534 -12.763 1.00 0.00 O ATOM 220 CB ASN A 14 10.901 0.795 -12.861 1.00 0.00 C ATOM 221 CG ASN A 14 10.360 -0.456 -13.538 1.00 0.00 C ATOM 222 OD1 ASN A 14 9.608 -0.379 -14.512 1.00 0.00 O ATOM 223 ND2 ASN A 14 10.760 -1.615 -13.038 1.00 0.00 N ATOM 0 H ASN A 14 11.521 2.996 -11.986 1.00 0.00 H new ATOM 0 HA ASN A 14 9.695 2.188 -13.972 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.847 1.071 -13.328 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.115 0.570 -11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.445 -2.488 -13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.383 -1.634 -12.231 1.00 0.00 H new ATOM 230 N TYR A 15 8.776 1.600 -10.849 1.00 0.00 N ATOM 231 CA TYR A 15 7.633 1.368 -9.976 1.00 0.00 C ATOM 232 C TYR A 15 6.601 2.479 -10.145 1.00 0.00 C ATOM 233 O TYR A 15 5.405 2.230 -10.066 1.00 0.00 O ATOM 234 CB TYR A 15 8.086 1.289 -8.513 1.00 0.00 C ATOM 235 CG TYR A 15 6.955 1.045 -7.524 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.503 -0.243 -7.252 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.344 2.107 -6.860 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.478 -0.466 -6.351 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.320 1.890 -5.959 1.00 0.00 C ATOM 240 CZ TYR A 15 4.890 0.604 -5.707 1.00 0.00 C ATOM 241 OH TYR A 15 3.867 0.390 -4.812 1.00 0.00 O ATOM 0 H TYR A 15 9.665 1.694 -10.358 1.00 0.00 H new ATOM 0 HA TYR A 15 7.175 0.419 -10.253 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.820 0.489 -8.414 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.590 2.219 -8.249 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.961 -1.083 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.677 3.116 -7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.139 -1.472 -6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.857 2.725 -5.453 1.00 0.00 H new ATOM 0 HH TYR A 15 4.084 -0.379 -4.245 1.00 0.00 H new ATOM 251 N LEU A 16 7.081 3.701 -10.378 1.00 0.00 N ATOM 252 CA LEU A 16 6.207 4.854 -10.582 1.00 0.00 C ATOM 253 C LEU A 16 5.310 4.609 -11.791 1.00 0.00 C ATOM 254 O LEU A 16 4.093 4.768 -11.715 1.00 0.00 O ATOM 255 CB LEU A 16 7.050 6.139 -10.760 1.00 0.00 C ATOM 256 CG LEU A 16 6.279 7.478 -10.819 1.00 0.00 C ATOM 257 CD1 LEU A 16 5.647 7.714 -12.191 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.217 7.532 -9.724 1.00 0.00 C ATOM 0 H LEU A 16 8.076 3.917 -10.430 1.00 0.00 H new ATOM 0 HA LEU A 16 5.574 4.990 -9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.763 6.194 -9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.629 6.040 -11.678 1.00 0.00 H new ATOM 0 HG LEU A 16 7.001 8.277 -10.651 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.115 8.666 -12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.427 7.737 -12.952 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.947 6.908 -12.413 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.684 8.481 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.512 6.712 -9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.695 7.442 -8.749 1.00 0.00 H new ATOM 270 N ASP A 17 5.922 4.201 -12.900 1.00 0.00 N ATOM 271 CA ASP A 17 5.183 3.916 -14.129 1.00 0.00 C ATOM 272 C ASP A 17 4.135 2.831 -13.880 1.00 0.00 C ATOM 273 O ASP A 17 2.966 2.981 -14.252 1.00 0.00 O ATOM 274 CB ASP A 17 6.144 3.479 -15.242 1.00 0.00 C ATOM 275 CG ASP A 17 5.427 3.169 -16.550 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.073 4.121 -17.281 1.00 0.00 O ATOM 277 OD2 ASP A 17 5.226 1.976 -16.862 1.00 0.00 O ATOM 0 H ASP A 17 6.930 4.060 -12.974 1.00 0.00 H new ATOM 0 HA ASP A 17 4.675 4.827 -14.445 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.878 4.267 -15.413 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.694 2.596 -14.916 1.00 0.00 H new ATOM 282 N GLN A 18 4.565 1.752 -13.231 1.00 0.00 N ATOM 283 CA GLN A 18 3.682 0.628 -12.916 1.00 0.00 C ATOM 284 C GLN A 18 2.515 1.078 -12.030 1.00 0.00 C ATOM 285 O GLN A 18 1.346 0.928 -12.393 1.00 0.00 O ATOM 286 CB GLN A 18 4.474 -0.481 -12.204 1.00 0.00 C ATOM 287 CG GLN A 18 3.677 -1.763 -11.966 1.00 0.00 C ATOM 288 CD GLN A 18 4.404 -2.762 -11.076 1.00 0.00 C ATOM 289 OE1 GLN A 18 4.276 -3.976 -11.249 1.00 0.00 O ATOM 290 NE2 GLN A 18 5.141 -2.263 -10.093 1.00 0.00 N ATOM 0 H GLN A 18 5.526 1.630 -12.910 1.00 0.00 H new ATOM 0 HA GLN A 18 3.277 0.242 -13.852 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.357 -0.720 -12.797 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.827 -0.102 -11.245 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.720 -1.509 -11.511 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.459 -2.232 -12.926 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.224 -1.253 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.625 -2.890 -9.450 1.00 0.00 H new ATOM 299 N ILE A 19 2.859 1.657 -10.882 1.00 0.00 N ATOM 300 CA ILE A 19 1.889 2.021 -9.847 1.00 0.00 C ATOM 301 C ILE A 19 0.947 3.121 -10.337 1.00 0.00 C ATOM 302 O ILE A 19 -0.190 3.237 -9.872 1.00 0.00 O ATOM 303 CB ILE A 19 2.614 2.497 -8.553 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.677 2.440 -7.336 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.180 3.909 -8.720 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.381 1.032 -6.868 1.00 0.00 C ATOM 0 H ILE A 19 3.823 1.889 -10.641 1.00 0.00 H new ATOM 0 HA ILE A 19 1.302 1.130 -9.622 1.00 0.00 H new ATOM 0 HB ILE A 19 3.445 1.814 -8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.125 3.000 -6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.739 2.936 -7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.680 4.212 -7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.896 3.919 -9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.368 4.603 -8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.714 1.068 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.904 0.474 -7.673 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.311 0.539 -6.586 1.00 0.00 H new ATOM 318 N ALA A 20 1.428 3.934 -11.269 1.00 0.00 N ATOM 319 CA ALA A 20 0.632 5.016 -11.819 1.00 0.00 C ATOM 320 C ALA A 20 -0.371 4.484 -12.834 1.00 0.00 C ATOM 321 O ALA A 20 -1.576 4.652 -12.672 1.00 0.00 O ATOM 322 CB ALA A 20 1.525 6.076 -12.457 1.00 0.00 C ATOM 0 H ALA A 20 2.368 3.862 -11.658 1.00 0.00 H new ATOM 0 HA ALA A 20 0.081 5.480 -11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.907 6.877 -12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.200 6.484 -11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.108 5.625 -13.261 1.00 0.00 H new ATOM 328 N LYS A 21 0.129 3.810 -13.863 1.00 0.00 N ATOM 329 CA LYS A 21 -0.707 3.422 -14.996 1.00 0.00 C ATOM 330 C LYS A 21 -1.643 2.258 -14.669 1.00 0.00 C ATOM 331 O LYS A 21 -2.741 2.177 -15.226 1.00 0.00 O ATOM 332 CB LYS A 21 0.160 3.105 -16.223 1.00 0.00 C ATOM 333 CG LYS A 21 0.911 4.324 -16.758 1.00 0.00 C ATOM 334 CD LYS A 21 -0.037 5.500 -17.007 1.00 0.00 C ATOM 335 CE LYS A 21 0.695 6.736 -17.514 1.00 0.00 C ATOM 336 NZ LYS A 21 -0.209 7.915 -17.609 1.00 0.00 N ATOM 0 H LYS A 21 1.104 3.521 -13.938 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.345 4.275 -15.227 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.879 2.329 -15.961 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.473 2.700 -17.013 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.681 4.620 -16.046 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.419 4.062 -17.686 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.794 5.206 -17.734 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.560 5.744 -16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.524 6.967 -16.845 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.124 6.528 -18.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.357 8.788 -17.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.758 7.862 -18.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.859 7.921 -16.797 1.00 0.00 H new ATOM 350 N PHE A 22 -1.237 1.364 -13.769 1.00 0.00 N ATOM 351 CA PHE A 22 -2.100 0.242 -13.394 1.00 0.00 C ATOM 352 C PHE A 22 -3.409 0.761 -12.799 1.00 0.00 C ATOM 353 O PHE A 22 -4.489 0.258 -13.112 1.00 0.00 O ATOM 354 CB PHE A 22 -1.398 -0.702 -12.400 1.00 0.00 C ATOM 355 CG PHE A 22 -2.288 -1.822 -11.891 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.368 -3.038 -12.560 1.00 0.00 C ATOM 357 CD2 PHE A 22 -3.053 -1.648 -10.746 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.190 -4.047 -12.094 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.873 -2.653 -10.276 1.00 0.00 C ATOM 360 CZ PHE A 22 -3.943 -3.855 -10.951 1.00 0.00 C ATOM 0 H PHE A 22 -0.335 1.391 -13.293 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.319 -0.329 -14.296 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.522 -1.136 -12.882 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.039 -0.120 -11.551 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.782 -3.196 -13.453 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.005 -0.709 -10.214 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.244 -4.987 -12.624 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.459 -2.500 -9.382 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.585 -4.644 -10.587 1.00 0.00 H new ATOM 370 N TRP A 23 -3.305 1.786 -11.960 1.00 0.00 N ATOM 371 CA TRP A 23 -4.463 2.326 -11.253 1.00 0.00 C ATOM 372 C TRP A 23 -5.120 3.469 -12.032 1.00 0.00 C ATOM 373 O TRP A 23 -6.343 3.512 -12.176 1.00 0.00 O ATOM 374 CB TRP A 23 -4.045 2.799 -9.855 1.00 0.00 C ATOM 375 CG TRP A 23 -5.188 3.274 -9.002 1.00 0.00 C ATOM 376 CD1 TRP A 23 -5.191 4.355 -8.169 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.494 2.690 -8.903 1.00 0.00 C ATOM 378 NE1 TRP A 23 -6.411 4.476 -7.559 1.00 0.00 N ATOM 379 CE2 TRP A 23 -7.229 3.465 -7.990 1.00 0.00 C ATOM 380 CE3 TRP A 23 -7.112 1.586 -9.499 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.552 3.172 -7.659 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.419 1.294 -9.173 1.00 0.00 C ATOM 383 CH2 TRP A 23 -9.130 2.085 -8.262 1.00 0.00 C ATOM 0 H TRP A 23 -2.427 2.262 -11.752 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.202 1.531 -11.158 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.538 1.981 -9.343 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.321 3.608 -9.958 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.353 5.018 -8.014 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.669 5.202 -6.891 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.573 0.971 -10.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -9.101 3.779 -6.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.902 0.442 -9.627 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -10.154 1.834 -8.030 1.00 0.00 H new ATOM 394 N GLU A 24 -4.308 4.389 -12.537 1.00 0.00 N ATOM 395 CA GLU A 24 -4.814 5.557 -13.254 1.00 0.00 C ATOM 396 C GLU A 24 -5.647 5.141 -14.470 1.00 0.00 C ATOM 397 O GLU A 24 -6.774 5.608 -14.656 1.00 0.00 O ATOM 398 CB GLU A 24 -3.649 6.449 -13.697 1.00 0.00 C ATOM 399 CG GLU A 24 -4.075 7.720 -14.419 1.00 0.00 C ATOM 400 CD GLU A 24 -2.889 8.528 -14.914 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.431 8.287 -16.051 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.401 9.404 -14.168 1.00 0.00 O ATOM 0 H GLU A 24 -3.291 4.350 -12.464 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.458 6.117 -12.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.062 6.722 -12.820 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.995 5.874 -14.353 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.712 7.459 -15.264 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.674 8.334 -13.746 1.00 0.00 H new ATOM 409 N ILE A 25 -5.096 4.242 -15.284 1.00 0.00 N ATOM 410 CA ILE A 25 -5.758 3.813 -16.517 1.00 0.00 C ATOM 411 C ILE A 25 -6.929 2.868 -16.203 1.00 0.00 C ATOM 412 O ILE A 25 -7.737 2.549 -17.079 1.00 0.00 O ATOM 413 CB ILE A 25 -4.756 3.125 -17.488 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.476 3.972 -17.638 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.397 2.887 -18.858 1.00 0.00 C ATOM 416 CD1 ILE A 25 -3.707 5.375 -18.169 1.00 0.00 C ATOM 0 H ILE A 25 -4.194 3.797 -15.113 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.148 4.704 -17.010 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.487 2.158 -17.063 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.986 4.041 -16.667 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.789 3.453 -18.306 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.676 2.405 -19.518 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.271 2.245 -18.744 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.701 3.841 -19.288 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.753 5.898 -18.242 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.167 5.319 -19.156 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.367 5.917 -17.491 1.00 0.00 H new ATOM 428 N GLN A 26 -7.027 2.446 -14.940 1.00 0.00 N ATOM 429 CA GLN A 26 -8.138 1.607 -14.481 1.00 0.00 C ATOM 430 C GLN A 26 -9.423 2.438 -14.383 1.00 0.00 C ATOM 431 O GLN A 26 -10.507 1.908 -14.130 1.00 0.00 O ATOM 432 CB GLN A 26 -7.800 0.974 -13.119 1.00 0.00 C ATOM 433 CG GLN A 26 -8.833 -0.034 -12.612 1.00 0.00 C ATOM 434 CD GLN A 26 -8.896 -1.311 -13.441 1.00 0.00 C ATOM 435 OE1 GLN A 26 -8.610 -1.312 -14.640 1.00 0.00 O ATOM 436 NE2 GLN A 26 -9.291 -2.406 -12.810 1.00 0.00 N ATOM 0 H GLN A 26 -6.347 2.673 -14.214 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.297 0.807 -15.204 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.833 0.477 -13.194 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.694 1.768 -12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.600 -0.292 -11.579 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.816 0.436 -12.609 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.520 -2.368 -11.817 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.367 -3.288 -13.317 1.00 0.00 H new ATOM 445 N GLY A 27 -9.289 3.745 -14.593 1.00 0.00 N ATOM 446 CA GLY A 27 -10.429 4.642 -14.523 1.00 0.00 C ATOM 447 C GLY A 27 -10.458 5.398 -13.215 1.00 0.00 C ATOM 448 O GLY A 27 -11.526 5.645 -12.649 1.00 0.00 O ATOM 0 H GLY A 27 -8.403 4.201 -14.812 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.389 5.348 -15.352 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.351 4.071 -14.635 1.00 0.00 H new ATOM 452 N SER A 28 -9.276 5.740 -12.721 1.00 0.00 N ATOM 453 CA SER A 28 -9.139 6.445 -11.457 1.00 0.00 C ATOM 454 C SER A 28 -7.893 7.331 -11.482 1.00 0.00 C ATOM 455 O SER A 28 -7.272 7.516 -12.531 1.00 0.00 O ATOM 456 CB SER A 28 -9.069 5.435 -10.303 1.00 0.00 C ATOM 457 OG SER A 28 -9.072 6.084 -9.042 1.00 0.00 O ATOM 0 H SER A 28 -8.390 5.537 -13.184 1.00 0.00 H new ATOM 0 HA SER A 28 -10.009 7.084 -11.305 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.917 4.752 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.166 4.832 -10.401 1.00 0.00 H new ATOM 0 HG SER A 28 -8.817 5.445 -8.344 1.00 0.00 H new ATOM 463 N SER A 29 -7.547 7.884 -10.329 1.00 0.00 N ATOM 464 CA SER A 29 -6.346 8.691 -10.179 1.00 0.00 C ATOM 465 C SER A 29 -5.593 8.259 -8.923 1.00 0.00 C ATOM 466 O SER A 29 -6.192 8.132 -7.849 1.00 0.00 O ATOM 467 CB SER A 29 -6.717 10.178 -10.114 1.00 0.00 C ATOM 468 OG SER A 29 -7.767 10.405 -9.184 1.00 0.00 O ATOM 0 H SER A 29 -8.091 7.786 -9.472 1.00 0.00 H new ATOM 0 HA SER A 29 -5.696 8.542 -11.041 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.842 10.762 -9.828 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.022 10.523 -11.102 1.00 0.00 H new ATOM 0 HG SER A 29 -7.612 9.869 -8.378 1.00 0.00 H new ATOM 474 N LEU A 30 -4.291 8.019 -9.061 1.00 0.00 N ATOM 475 CA LEU A 30 -3.472 7.562 -7.944 1.00 0.00 C ATOM 476 C LEU A 30 -3.263 8.698 -6.946 1.00 0.00 C ATOM 477 O LEU A 30 -2.265 9.421 -7.001 1.00 0.00 O ATOM 478 CB LEU A 30 -2.125 7.022 -8.447 1.00 0.00 C ATOM 479 CG LEU A 30 -1.208 6.426 -7.364 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.875 5.233 -6.682 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.136 6.028 -7.963 1.00 0.00 C ATOM 0 H LEU A 30 -3.781 8.134 -9.937 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.993 6.749 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.317 6.256 -9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.592 7.831 -8.946 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.032 7.189 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.208 4.829 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.806 5.555 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.088 4.463 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.772 5.609 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.020 5.284 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.618 6.907 -8.391 1.00 0.00 H new ATOM 493 N LYS A 31 -4.235 8.874 -6.057 1.00 0.00 N ATOM 494 CA LYS A 31 -4.182 9.932 -5.060 1.00 0.00 C ATOM 495 C LYS A 31 -3.537 9.421 -3.773 1.00 0.00 C ATOM 496 O LYS A 31 -4.215 8.885 -2.890 1.00 0.00 O ATOM 497 CB LYS A 31 -5.592 10.481 -4.778 1.00 0.00 C ATOM 498 CG LYS A 31 -5.641 11.710 -3.856 1.00 0.00 C ATOM 499 CD LYS A 31 -5.271 13.020 -4.574 1.00 0.00 C ATOM 500 CE LYS A 31 -3.778 13.135 -4.876 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.441 14.406 -5.569 1.00 0.00 N ATOM 0 H LYS A 31 -5.072 8.293 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.571 10.745 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.061 10.740 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.192 9.687 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.643 11.803 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.959 11.556 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.831 13.087 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.577 13.865 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.215 13.071 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.468 12.293 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.418 14.440 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.957 14.457 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.712 15.211 -4.969 1.00 0.00 H new ATOM 515 N ILE A 32 -2.218 9.555 -3.696 1.00 0.00 N ATOM 516 CA ILE A 32 -1.468 9.208 -2.495 1.00 0.00 C ATOM 517 C ILE A 32 -0.991 10.489 -1.805 1.00 0.00 C ATOM 518 O ILE A 32 -0.183 11.240 -2.357 1.00 0.00 O ATOM 519 CB ILE A 32 -0.267 8.268 -2.807 1.00 0.00 C ATOM 520 CG1 ILE A 32 0.599 8.834 -3.947 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.769 6.865 -3.154 1.00 0.00 C ATOM 522 CD1 ILE A 32 1.773 7.949 -4.319 1.00 0.00 C ATOM 0 H ILE A 32 -1.641 9.906 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.131 8.659 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 32 0.357 8.205 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.026 8.982 -4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.973 9.815 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.081 6.218 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.329 6.460 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.417 6.917 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.336 8.413 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.422 7.822 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.406 6.975 -4.644 1.00 0.00 H new ATOM 534 N PRO A 33 -1.522 10.775 -0.603 1.00 0.00 N ATOM 535 CA PRO A 33 -1.249 12.024 0.110 1.00 0.00 C ATOM 536 C PRO A 33 0.066 11.993 0.883 1.00 0.00 C ATOM 537 O PRO A 33 0.823 11.019 0.820 1.00 0.00 O ATOM 538 CB PRO A 33 -2.436 12.122 1.069 1.00 0.00 C ATOM 539 CG PRO A 33 -2.746 10.703 1.407 1.00 0.00 C ATOM 540 CD PRO A 33 -2.433 9.898 0.167 1.00 0.00 C ATOM 0 HA PRO A 33 -1.143 12.872 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.183 12.698 1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.287 12.616 0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.148 10.364 2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.792 10.590 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.959 8.949 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.336 9.665 -0.397 1.00 0.00 H new ATOM 548 N ASN A 34 0.323 13.067 1.616 1.00 0.00 N ATOM 549 CA ASN A 34 1.503 13.171 2.456 1.00 0.00 C ATOM 550 C ASN A 34 1.100 13.224 3.912 1.00 0.00 C ATOM 551 O ASN A 34 0.090 13.829 4.282 1.00 0.00 O ATOM 552 CB ASN A 34 2.340 14.404 2.088 1.00 0.00 C ATOM 553 CG ASN A 34 1.564 15.715 2.176 1.00 0.00 C ATOM 554 OD1 ASN A 34 0.341 15.743 2.028 1.00 0.00 O ATOM 555 ND2 ASN A 34 2.274 16.811 2.397 1.00 0.00 N ATOM 0 H ASN A 34 -0.281 13.889 1.644 1.00 0.00 H new ATOM 0 HA ASN A 34 2.119 12.287 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.204 14.457 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.722 14.285 1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.810 17.718 2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.285 16.748 2.515 1.00 0.00 H new ATOM 562 N VAL A 35 1.894 12.572 4.730 1.00 0.00 N ATOM 563 CA VAL A 35 1.635 12.493 6.151 1.00 0.00 C ATOM 564 C VAL A 35 2.951 12.555 6.923 1.00 0.00 C ATOM 565 O VAL A 35 3.966 12.020 6.470 1.00 0.00 O ATOM 566 CB VAL A 35 0.856 11.194 6.508 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.717 9.950 6.291 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.314 11.252 7.934 1.00 0.00 C ATOM 0 H VAL A 35 2.737 12.082 4.431 1.00 0.00 H new ATOM 0 HA VAL A 35 1.014 13.343 6.435 1.00 0.00 H new ATOM 0 HB VAL A 35 0.004 11.123 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.143 9.060 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.020 9.895 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.603 10.006 6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.226 10.331 8.156 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.142 11.365 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.362 12.101 8.032 1.00 0.00 H new ATOM 578 N GLU A 36 2.942 13.250 8.060 1.00 0.00 N ATOM 579 CA GLU A 36 4.113 13.327 8.934 1.00 0.00 C ATOM 580 C GLU A 36 5.317 13.941 8.216 1.00 0.00 C ATOM 581 O GLU A 36 6.469 13.689 8.576 1.00 0.00 O ATOM 582 CB GLU A 36 4.441 11.955 9.526 1.00 0.00 C ATOM 583 CG GLU A 36 3.264 11.325 10.275 1.00 0.00 C ATOM 584 CD GLU A 36 2.484 12.333 11.123 1.00 0.00 C ATOM 585 OE1 GLU A 36 2.834 12.524 12.306 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.518 12.942 10.604 1.00 0.00 O ATOM 0 H GLU A 36 2.133 13.770 8.399 1.00 0.00 H new ATOM 0 HA GLU A 36 3.869 13.994 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.753 11.286 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.286 12.053 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.588 10.864 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.635 10.528 10.919 1.00 0.00 H new ATOM 593 N ARG A 37 5.015 14.740 7.194 1.00 0.00 N ATOM 594 CA ARG A 37 6.009 15.510 6.427 1.00 0.00 C ATOM 595 C ARG A 37 6.700 14.648 5.369 1.00 0.00 C ATOM 596 O ARG A 37 7.737 15.032 4.825 1.00 0.00 O ATOM 597 CB ARG A 37 7.058 16.199 7.337 1.00 0.00 C ATOM 598 CG ARG A 37 6.513 17.359 8.183 1.00 0.00 C ATOM 599 CD ARG A 37 5.599 16.883 9.306 1.00 0.00 C ATOM 600 NE ARG A 37 5.040 17.988 10.083 1.00 0.00 N ATOM 601 CZ ARG A 37 4.586 17.867 11.329 1.00 0.00 C ATOM 602 NH1 ARG A 37 4.683 16.706 11.962 1.00 0.00 N ATOM 603 NH2 ARG A 37 4.049 18.912 11.942 1.00 0.00 N ATOM 0 H ARG A 37 4.059 14.877 6.866 1.00 0.00 H new ATOM 0 HA ARG A 37 5.453 16.297 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.487 15.451 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.870 16.573 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.347 17.917 8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.965 18.047 7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.786 16.294 8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.158 16.224 9.970 1.00 0.00 H new ATOM 0 HE ARG A 37 4.995 18.908 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.106 15.904 11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.335 16.615 12.916 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.984 19.808 11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.701 18.820 12.896 1.00 0.00 H new ATOM 617 N ARG A 38 6.110 13.497 5.059 1.00 0.00 N ATOM 618 CA ARG A 38 6.605 12.639 3.983 1.00 0.00 C ATOM 619 C ARG A 38 5.436 12.091 3.172 1.00 0.00 C ATOM 620 O ARG A 38 4.363 11.843 3.719 1.00 0.00 O ATOM 621 CB ARG A 38 7.434 11.477 4.551 1.00 0.00 C ATOM 622 CG ARG A 38 8.008 10.556 3.476 1.00 0.00 C ATOM 623 CD ARG A 38 8.688 9.330 4.071 1.00 0.00 C ATOM 624 NE ARG A 38 9.848 9.678 4.893 1.00 0.00 N ATOM 625 CZ ARG A 38 10.515 8.806 5.646 1.00 0.00 C ATOM 626 NH1 ARG A 38 10.121 7.537 5.706 1.00 0.00 N ATOM 627 NH2 ARG A 38 11.572 9.203 6.339 1.00 0.00 N ATOM 0 H ARG A 38 5.286 13.135 5.539 1.00 0.00 H new ATOM 0 HA ARG A 38 7.245 13.237 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.252 11.882 5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.809 10.891 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.208 10.237 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.726 11.110 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.970 8.778 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.003 8.666 3.266 1.00 0.00 H new ATOM 0 HE ARG A 38 10.165 10.648 4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.306 7.230 5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.634 6.871 6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.874 10.176 6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.084 8.535 6.916 1.00 0.00 H new ATOM 641 N ILE A 39 5.632 11.919 1.868 1.00 0.00 N ATOM 642 CA ILE A 39 4.606 11.316 1.019 1.00 0.00 C ATOM 643 C ILE A 39 4.387 9.854 1.407 1.00 0.00 C ATOM 644 O ILE A 39 5.300 9.193 1.919 1.00 0.00 O ATOM 645 CB ILE A 39 4.980 11.386 -0.484 1.00 0.00 C ATOM 646 CG1 ILE A 39 3.811 10.888 -1.358 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.246 10.573 -0.763 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.118 10.852 -2.839 1.00 0.00 C ATOM 0 H ILE A 39 6.485 12.186 1.377 1.00 0.00 H new ATOM 0 HA ILE A 39 3.691 11.887 1.173 1.00 0.00 H new ATOM 0 HB ILE A 39 5.179 12.427 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.529 9.887 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.948 11.532 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.492 10.635 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.072 10.973 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.077 9.531 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.245 10.491 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.370 11.855 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.960 10.184 -3.020 1.00 0.00 H new ATOM 660 N LEU A 40 3.177 9.359 1.176 1.00 0.00 N ATOM 661 CA LEU A 40 2.866 7.958 1.406 1.00 0.00 C ATOM 662 C LEU A 40 3.576 7.098 0.356 1.00 0.00 C ATOM 663 O LEU A 40 3.062 6.890 -0.745 1.00 0.00 O ATOM 664 CB LEU A 40 1.343 7.736 1.354 1.00 0.00 C ATOM 665 CG LEU A 40 0.867 6.329 1.751 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.267 6.007 3.190 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.645 6.198 1.563 1.00 0.00 C ATOM 0 H LEU A 40 2.394 9.912 0.828 1.00 0.00 H new ATOM 0 HA LEU A 40 3.217 7.667 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.865 8.462 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.997 7.946 0.342 1.00 0.00 H new ATOM 0 HG LEU A 40 1.354 5.607 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.920 5.007 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.352 6.050 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.815 6.734 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.962 5.195 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.154 6.932 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.898 6.374 0.517 1.00 0.00 H new ATOM 679 N ASP A 41 4.781 6.636 0.690 1.00 0.00 N ATOM 680 CA ASP A 41 5.584 5.842 -0.240 1.00 0.00 C ATOM 681 C ASP A 41 4.986 4.447 -0.374 1.00 0.00 C ATOM 682 O ASP A 41 5.276 3.545 0.418 1.00 0.00 O ATOM 683 CB ASP A 41 7.051 5.766 0.216 1.00 0.00 C ATOM 684 CG ASP A 41 7.946 5.048 -0.792 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.418 5.693 -1.751 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.187 3.835 -0.627 1.00 0.00 O ATOM 0 H ASP A 41 5.222 6.797 1.596 1.00 0.00 H new ATOM 0 HA ASP A 41 5.570 6.330 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.430 6.775 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.103 5.249 1.174 1.00 0.00 H new ATOM 691 N LEU A 42 4.122 4.302 -1.372 1.00 0.00 N ATOM 692 CA LEU A 42 3.374 3.070 -1.607 1.00 0.00 C ATOM 693 C LEU A 42 4.320 1.874 -1.770 1.00 0.00 C ATOM 694 O LEU A 42 3.964 0.740 -1.449 1.00 0.00 O ATOM 695 CB LEU A 42 2.485 3.248 -2.855 1.00 0.00 C ATOM 696 CG LEU A 42 1.127 2.511 -2.834 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.227 3.011 -3.960 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.310 0.996 -2.935 1.00 0.00 C ATOM 0 H LEU A 42 3.919 5.040 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 42 2.741 2.865 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.295 4.313 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.045 2.909 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 42 0.650 2.728 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.724 2.480 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.050 4.080 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.711 2.831 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.335 0.510 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.820 0.752 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.906 0.645 -2.093 1.00 0.00 H new ATOM 710 N TYR A 43 5.531 2.145 -2.245 1.00 0.00 N ATOM 711 CA TYR A 43 6.531 1.103 -2.479 1.00 0.00 C ATOM 712 C TYR A 43 6.868 0.384 -1.169 1.00 0.00 C ATOM 713 O TYR A 43 6.805 -0.850 -1.081 1.00 0.00 O ATOM 714 CB TYR A 43 7.798 1.726 -3.082 1.00 0.00 C ATOM 715 CG TYR A 43 8.615 0.792 -3.962 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.710 -0.573 -3.702 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.295 1.293 -5.059 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.461 -1.402 -4.516 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.046 0.477 -5.874 1.00 0.00 C ATOM 720 CZ TYR A 43 10.127 -0.871 -5.602 1.00 0.00 C ATOM 721 OH TYR A 43 10.879 -1.691 -6.413 1.00 0.00 O ATOM 0 H TYR A 43 5.848 3.086 -2.478 1.00 0.00 H new ATOM 0 HA TYR A 43 6.124 0.373 -3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.512 2.598 -3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.431 2.083 -2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.190 -0.990 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.235 2.348 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.526 -2.459 -4.303 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.569 0.892 -6.723 1.00 0.00 H new ATOM 0 HH TYR A 43 11.281 -1.160 -7.132 1.00 0.00 H new ATOM 731 N SER A 44 7.219 1.169 -0.156 1.00 0.00 N ATOM 732 CA SER A 44 7.531 0.634 1.161 1.00 0.00 C ATOM 733 C SER A 44 6.323 -0.106 1.725 1.00 0.00 C ATOM 734 O SER A 44 6.459 -1.172 2.319 1.00 0.00 O ATOM 735 CB SER A 44 7.967 1.758 2.106 1.00 0.00 C ATOM 736 OG SER A 44 9.110 2.432 1.602 1.00 0.00 O ATOM 0 H SER A 44 7.294 2.184 -0.225 1.00 0.00 H new ATOM 0 HA SER A 44 8.357 -0.071 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.149 2.467 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.188 1.345 3.090 1.00 0.00 H new ATOM 0 HG SER A 44 8.861 2.950 0.808 1.00 0.00 H new ATOM 742 N LEU A 45 5.141 0.454 1.502 1.00 0.00 N ATOM 743 CA LEU A 45 3.898 -0.174 1.929 1.00 0.00 C ATOM 744 C LEU A 45 3.773 -1.551 1.279 1.00 0.00 C ATOM 745 O LEU A 45 3.444 -2.532 1.945 1.00 0.00 O ATOM 746 CB LEU A 45 2.701 0.733 1.572 1.00 0.00 C ATOM 747 CG LEU A 45 1.299 0.255 2.016 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.723 -0.784 1.054 1.00 0.00 C ATOM 749 CD2 LEU A 45 1.337 -0.292 3.443 1.00 0.00 C ATOM 0 H LEU A 45 5.017 1.347 1.025 1.00 0.00 H new ATOM 0 HA LEU A 45 3.902 -0.308 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.878 1.715 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.687 0.864 0.490 1.00 0.00 H new ATOM 0 HG LEU A 45 0.639 1.122 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.263 -1.094 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.637 -0.349 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.384 -1.650 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.339 -0.622 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.026 -1.135 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.672 0.490 4.124 1.00 0.00 H new ATOM 761 N SER A 46 4.073 -1.613 -0.015 1.00 0.00 N ATOM 762 CA SER A 46 3.985 -2.858 -0.770 1.00 0.00 C ATOM 763 C SER A 46 4.886 -3.924 -0.146 1.00 0.00 C ATOM 764 O SER A 46 4.426 -5.013 0.213 1.00 0.00 O ATOM 765 CB SER A 46 4.384 -2.625 -2.234 1.00 0.00 C ATOM 766 OG SER A 46 3.626 -1.576 -2.817 1.00 0.00 O ATOM 0 H SER A 46 4.381 -0.811 -0.565 1.00 0.00 H new ATOM 0 HA SER A 46 2.953 -3.208 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.445 -2.383 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.236 -3.543 -2.803 1.00 0.00 H new ATOM 0 HG SER A 46 3.835 -0.731 -2.366 1.00 0.00 H new ATOM 772 N LYS A 47 6.166 -3.590 0.017 1.00 0.00 N ATOM 773 CA LYS A 47 7.142 -4.553 0.520 1.00 0.00 C ATOM 774 C LYS A 47 6.803 -4.964 1.950 1.00 0.00 C ATOM 775 O LYS A 47 6.931 -6.134 2.307 1.00 0.00 O ATOM 776 CB LYS A 47 8.574 -3.991 0.436 1.00 0.00 C ATOM 777 CG LYS A 47 8.817 -2.759 1.300 1.00 0.00 C ATOM 778 CD LYS A 47 10.229 -2.201 1.134 1.00 0.00 C ATOM 779 CE LYS A 47 10.503 -1.754 -0.299 1.00 0.00 C ATOM 780 NZ LYS A 47 11.836 -1.112 -0.436 1.00 0.00 N ATOM 0 H LYS A 47 6.548 -2.667 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 47 7.096 -5.440 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.276 -4.771 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.793 -3.741 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.092 -1.988 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.651 -3.014 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.367 -1.357 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.955 -2.961 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.445 -2.615 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.729 -1.054 -0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.982 -0.823 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.883 -0.275 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.577 -1.788 -0.159 1.00 0.00 H new ATOM 794 N ILE A 48 6.332 -4.010 2.755 1.00 0.00 N ATOM 795 CA ILE A 48 5.967 -4.294 4.143 1.00 0.00 C ATOM 796 C ILE A 48 4.795 -5.275 4.203 1.00 0.00 C ATOM 797 O ILE A 48 4.829 -6.243 4.966 1.00 0.00 O ATOM 798 CB ILE A 48 5.613 -3.002 4.922 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.863 -2.119 5.104 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.995 -3.338 6.280 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.582 -0.787 5.773 1.00 0.00 C ATOM 0 H ILE A 48 6.195 -3.040 2.472 1.00 0.00 H new ATOM 0 HA ILE A 48 6.838 -4.746 4.618 1.00 0.00 H new ATOM 0 HB ILE A 48 4.878 -2.446 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.598 -2.664 5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.312 -1.937 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.755 -2.416 6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.085 -3.919 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.705 -3.919 6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.510 -0.223 5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.872 -0.220 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.162 -0.959 6.764 1.00 0.00 H new ATOM 813 N VAL A 49 3.767 -5.031 3.389 1.00 0.00 N ATOM 814 CA VAL A 49 2.614 -5.927 3.327 1.00 0.00 C ATOM 815 C VAL A 49 3.065 -7.338 2.934 1.00 0.00 C ATOM 816 O VAL A 49 2.603 -8.330 3.503 1.00 0.00 O ATOM 817 CB VAL A 49 1.534 -5.422 2.329 1.00 0.00 C ATOM 818 CG1 VAL A 49 0.418 -6.454 2.150 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.954 -4.088 2.795 1.00 0.00 C ATOM 0 H VAL A 49 3.710 -4.225 2.767 1.00 0.00 H new ATOM 0 HA VAL A 49 2.163 -5.947 4.319 1.00 0.00 H new ATOM 0 HB VAL A 49 2.016 -5.276 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.322 -6.072 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.839 -7.382 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.060 -6.644 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.200 -3.751 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.497 -4.213 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.751 -3.347 2.858 1.00 0.00 H new ATOM 829 N VAL A 50 3.988 -7.412 1.972 1.00 0.00 N ATOM 830 CA VAL A 50 4.548 -8.693 1.539 1.00 0.00 C ATOM 831 C VAL A 50 5.315 -9.369 2.680 1.00 0.00 C ATOM 832 O VAL A 50 5.235 -10.588 2.858 1.00 0.00 O ATOM 833 CB VAL A 50 5.484 -8.522 0.311 1.00 0.00 C ATOM 834 CG1 VAL A 50 6.133 -9.852 -0.079 1.00 0.00 C ATOM 835 CG2 VAL A 50 4.717 -7.931 -0.871 1.00 0.00 C ATOM 0 H VAL A 50 4.362 -6.601 1.479 1.00 0.00 H new ATOM 0 HA VAL A 50 3.710 -9.326 1.248 1.00 0.00 H new ATOM 0 HB VAL A 50 6.279 -7.830 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.782 -9.701 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.722 -10.228 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.357 -10.575 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.389 -7.819 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.897 -8.596 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.317 -6.956 -0.594 1.00 0.00 H new ATOM 845 N GLU A 51 6.053 -8.576 3.456 1.00 0.00 N ATOM 846 CA GLU A 51 6.816 -9.105 4.589 1.00 0.00 C ATOM 847 C GLU A 51 5.881 -9.540 5.719 1.00 0.00 C ATOM 848 O GLU A 51 6.220 -10.427 6.510 1.00 0.00 O ATOM 849 CB GLU A 51 7.825 -8.066 5.108 1.00 0.00 C ATOM 850 CG GLU A 51 8.916 -7.701 4.103 1.00 0.00 C ATOM 851 CD GLU A 51 9.986 -6.792 4.696 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.822 -5.553 4.652 1.00 0.00 O ATOM 853 OE2 GLU A 51 11.003 -7.316 5.206 1.00 0.00 O ATOM 0 H GLU A 51 6.140 -7.568 3.323 1.00 0.00 H new ATOM 0 HA GLU A 51 7.368 -9.977 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.286 -7.161 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.294 -8.451 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.385 -8.614 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.462 -7.207 3.244 1.00 0.00 H new ATOM 860 N GLU A 52 4.710 -8.913 5.792 1.00 0.00 N ATOM 861 CA GLU A 52 3.730 -9.240 6.823 1.00 0.00 C ATOM 862 C GLU A 52 2.924 -10.484 6.427 1.00 0.00 C ATOM 863 O GLU A 52 2.518 -11.271 7.282 1.00 0.00 O ATOM 864 CB GLU A 52 2.799 -8.047 7.072 1.00 0.00 C ATOM 865 CG GLU A 52 2.005 -8.150 8.368 1.00 0.00 C ATOM 866 CD GLU A 52 2.889 -8.117 9.605 1.00 0.00 C ATOM 867 OE1 GLU A 52 3.392 -9.182 10.015 1.00 0.00 O ATOM 868 OE2 GLU A 52 3.072 -7.024 10.180 1.00 0.00 O ATOM 0 H GLU A 52 4.417 -8.176 5.150 1.00 0.00 H new ATOM 0 HA GLU A 52 4.262 -9.461 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.392 -7.133 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.104 -7.959 6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.289 -7.329 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.429 -9.075 8.363 1.00 0.00 H new ATOM 875 N GLY A 53 2.694 -10.656 5.123 1.00 0.00 N ATOM 876 CA GLY A 53 2.155 -11.912 4.613 1.00 0.00 C ATOM 877 C GLY A 53 0.722 -11.844 4.094 1.00 0.00 C ATOM 878 O GLY A 53 0.260 -12.799 3.464 1.00 0.00 O ATOM 0 H GLY A 53 2.871 -9.948 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.799 -12.264 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.201 -12.657 5.407 1.00 0.00 H new ATOM 882 N GLY A 54 0.002 -10.751 4.348 1.00 0.00 N ATOM 883 CA GLY A 54 -1.356 -10.635 3.823 1.00 0.00 C ATOM 884 C GLY A 54 -2.133 -9.470 4.407 1.00 0.00 C ATOM 885 O GLY A 54 -2.091 -9.240 5.618 1.00 0.00 O ATOM 0 H GLY A 54 0.325 -9.955 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.310 -10.524 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.896 -11.560 4.026 1.00 0.00 H new ATOM 889 N TYR A 55 -2.865 -8.758 3.546 1.00 0.00 N ATOM 890 CA TYR A 55 -3.663 -7.594 3.947 1.00 0.00 C ATOM 891 C TYR A 55 -4.600 -7.917 5.119 1.00 0.00 C ATOM 892 O TYR A 55 -4.572 -7.236 6.153 1.00 0.00 O ATOM 893 CB TYR A 55 -4.475 -7.080 2.745 1.00 0.00 C ATOM 894 CG TYR A 55 -5.485 -5.999 3.087 1.00 0.00 C ATOM 895 CD1 TYR A 55 -5.083 -4.796 3.653 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.842 -6.186 2.850 1.00 0.00 C ATOM 897 CE1 TYR A 55 -6.001 -3.812 3.971 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.764 -5.206 3.166 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.340 -4.024 3.726 1.00 0.00 C ATOM 900 OH TYR A 55 -8.258 -3.052 4.047 1.00 0.00 O ATOM 0 H TYR A 55 -2.922 -8.972 2.550 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.975 -6.818 4.284 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.785 -6.692 1.995 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.000 -7.920 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.034 -4.626 3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.182 -7.113 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.670 -2.882 4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.814 -5.368 2.974 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.940 -3.430 4.640 1.00 0.00 H new ATOM 910 N GLU A 56 -5.421 -8.957 4.952 1.00 0.00 N ATOM 911 CA GLU A 56 -6.405 -9.344 5.968 1.00 0.00 C ATOM 912 C GLU A 56 -5.753 -9.467 7.340 1.00 0.00 C ATOM 913 O GLU A 56 -6.256 -8.933 8.333 1.00 0.00 O ATOM 914 CB GLU A 56 -7.065 -10.681 5.605 1.00 0.00 C ATOM 915 CG GLU A 56 -8.089 -11.158 6.634 1.00 0.00 C ATOM 916 CD GLU A 56 -8.545 -12.590 6.395 1.00 0.00 C ATOM 917 OE1 GLU A 56 -7.906 -13.523 6.934 1.00 0.00 O ATOM 918 OE2 GLU A 56 -9.537 -12.792 5.667 1.00 0.00 O ATOM 0 H GLU A 56 -5.424 -9.548 4.121 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.164 -8.563 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.555 -10.583 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.291 -11.441 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.657 -11.081 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.956 -10.497 6.610 1.00 0.00 H new ATOM 925 N ALA A 57 -4.618 -10.155 7.377 1.00 0.00 N ATOM 926 CA ALA A 57 -3.923 -10.429 8.625 1.00 0.00 C ATOM 927 C ALA A 57 -3.489 -9.136 9.303 1.00 0.00 C ATOM 928 O ALA A 57 -3.634 -8.979 10.514 1.00 0.00 O ATOM 929 CB ALA A 57 -2.727 -11.337 8.368 1.00 0.00 C ATOM 0 H ALA A 57 -4.158 -10.535 6.550 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.610 -10.941 9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.213 -11.537 9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.070 -12.277 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.041 -10.848 7.676 1.00 0.00 H new ATOM 935 N ILE A 58 -2.977 -8.196 8.516 1.00 0.00 N ATOM 936 CA ILE A 58 -2.526 -6.919 9.060 1.00 0.00 C ATOM 937 C ILE A 58 -3.716 -6.146 9.619 1.00 0.00 C ATOM 938 O ILE A 58 -3.604 -5.457 10.634 1.00 0.00 O ATOM 939 CB ILE A 58 -1.821 -6.042 7.995 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.921 -6.894 7.089 1.00 0.00 C ATOM 941 CG2 ILE A 58 -1.002 -4.942 8.671 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.231 -6.112 5.990 1.00 0.00 C ATOM 0 H ILE A 58 -2.864 -8.292 7.507 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.806 -7.144 9.847 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.589 -5.580 7.374 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.164 -7.382 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.522 -7.683 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.512 -4.334 7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.661 -4.313 9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.248 -5.394 9.315 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.385 -6.786 5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.980 -5.646 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.399 -5.341 6.433 1.00 0.00 H new ATOM 954 N CYS A 59 -4.856 -6.279 8.948 1.00 0.00 N ATOM 955 CA CYS A 59 -6.067 -5.573 9.344 1.00 0.00 C ATOM 956 C CYS A 59 -6.625 -6.134 10.652 1.00 0.00 C ATOM 957 O CYS A 59 -6.861 -5.386 11.603 1.00 0.00 O ATOM 958 CB CYS A 59 -7.120 -5.662 8.231 1.00 0.00 C ATOM 959 SG CYS A 59 -8.612 -4.684 8.535 1.00 0.00 S ATOM 0 H CYS A 59 -4.965 -6.872 8.125 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.814 -4.525 9.507 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.670 -5.334 7.294 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.405 -6.706 8.099 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.337 -4.652 7.456 1.00 0.00 H new ATOM 965 N LYS A 60 -6.806 -7.450 10.710 1.00 0.00 N ATOM 966 CA LYS A 60 -7.400 -8.088 11.885 1.00 0.00 C ATOM 967 C LYS A 60 -6.452 -8.032 13.079 1.00 0.00 C ATOM 968 O LYS A 60 -6.890 -7.873 14.220 1.00 0.00 O ATOM 969 CB LYS A 60 -7.807 -9.539 11.572 1.00 0.00 C ATOM 970 CG LYS A 60 -9.294 -9.706 11.261 1.00 0.00 C ATOM 971 CD LYS A 60 -9.768 -8.761 10.156 1.00 0.00 C ATOM 972 CE LYS A 60 -11.277 -8.850 9.953 1.00 0.00 C ATOM 973 NZ LYS A 60 -11.756 -7.918 8.898 1.00 0.00 N ATOM 0 H LYS A 60 -6.552 -8.095 9.962 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.300 -7.533 12.149 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.225 -9.895 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.549 -10.171 12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.486 -10.736 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.874 -9.523 12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.494 -7.737 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.259 -9.006 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.546 -9.871 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.782 -8.624 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.515 -7.319 9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.968 -7.318 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.121 -8.464 8.092 1.00 0.00 H new ATOM 987 N ASP A 61 -5.156 -8.147 12.816 1.00 0.00 N ATOM 988 CA ASP A 61 -4.156 -8.081 13.878 1.00 0.00 C ATOM 989 C ASP A 61 -3.742 -6.636 14.156 1.00 0.00 C ATOM 990 O ASP A 61 -2.927 -6.382 15.045 1.00 0.00 O ATOM 991 CB ASP A 61 -2.931 -8.938 13.528 1.00 0.00 C ATOM 992 CG ASP A 61 -3.202 -10.430 13.661 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.702 -11.048 12.698 1.00 0.00 O ATOM 994 OD2 ASP A 61 -2.924 -10.991 14.743 1.00 0.00 O ATOM 0 H ASP A 61 -4.773 -8.286 11.881 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.607 -8.482 14.786 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.619 -8.719 12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.102 -8.664 14.180 1.00 0.00 H new ATOM 999 N ARG A 62 -4.309 -5.693 13.388 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.078 -4.257 13.599 1.00 0.00 C ATOM 1001 C ARG A 62 -2.601 -3.901 13.413 1.00 0.00 C ATOM 1002 O ARG A 62 -2.130 -2.879 13.916 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.537 -3.835 15.007 1.00 0.00 C ATOM 1004 CG ARG A 62 -6.014 -4.083 15.296 1.00 0.00 C ATOM 1005 CD ARG A 62 -6.364 -3.703 16.730 1.00 0.00 C ATOM 1006 NE ARG A 62 -7.775 -3.929 17.045 1.00 0.00 N ATOM 1007 CZ ARG A 62 -8.273 -3.938 18.284 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -7.469 -3.768 19.330 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -9.573 -4.119 18.472 1.00 0.00 N ATOM 0 H ARG A 62 -4.935 -5.902 12.610 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.663 -3.717 12.854 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.941 -4.372 15.745 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.328 -2.774 15.140 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.625 -3.504 14.604 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.249 -5.134 15.127 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.745 -4.281 17.416 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.123 -2.652 16.892 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.418 -4.090 16.270 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.469 -3.630 19.187 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.853 -3.775 20.275 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.191 -4.251 17.671 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.955 -4.126 19.418 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.883 -4.714 12.641 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.431 -4.582 12.542 1.00 0.00 C ATOM 1025 C ARG A 63 -0.025 -3.397 11.665 1.00 0.00 C ATOM 1026 O ARG A 63 1.157 -3.195 11.401 1.00 0.00 O ATOM 1027 CB ARG A 63 0.201 -5.891 12.047 1.00 0.00 C ATOM 1028 CG ARG A 63 -0.016 -7.057 13.013 1.00 0.00 C ATOM 1029 CD ARG A 63 0.778 -8.299 12.626 1.00 0.00 C ATOM 1030 NE ARG A 63 0.447 -8.781 11.282 1.00 0.00 N ATOM 1031 CZ ARG A 63 0.110 -10.044 10.998 1.00 0.00 C ATOM 1032 NH1 ARG A 63 -0.040 -10.933 11.966 1.00 0.00 N ATOM 1033 NH2 ARG A 63 -0.075 -10.419 9.741 1.00 0.00 N ATOM 0 H ARG A 63 -2.280 -5.467 12.078 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.049 -4.379 13.542 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.220 -6.147 11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.271 -5.740 11.901 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.269 -6.748 14.019 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.077 -7.305 13.044 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.844 -8.075 12.676 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.584 -9.090 13.350 1.00 0.00 H new ATOM 0 HE ARG A 63 0.475 -8.110 10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.101 -10.658 12.938 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.297 -11.894 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.039 -9.744 8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.332 -11.383 9.529 1.00 0.00 H new ATOM 1047 N TRP A 64 -1.004 -2.601 11.235 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.713 -1.341 10.554 1.00 0.00 C ATOM 1049 C TRP A 64 0.023 -0.400 11.507 1.00 0.00 C ATOM 1050 O TRP A 64 0.787 0.466 11.083 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.994 -0.671 10.040 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.730 -1.474 9.007 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -4.000 -1.967 9.107 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.241 -1.879 7.718 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.332 -2.646 7.962 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.272 -2.606 7.096 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -1.036 -1.698 7.025 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.138 -3.147 5.824 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.906 -2.238 5.761 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.953 -2.953 5.171 1.00 0.00 C ATOM 0 H TRP A 64 -1.997 -2.804 11.345 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.082 -1.558 9.692 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.659 -0.486 10.884 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.739 0.300 9.617 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.648 -1.841 9.962 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.225 -3.106 7.784 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.223 -1.145 7.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.943 -3.702 5.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.019 -2.106 5.219 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.823 -3.360 4.179 1.00 0.00 H new ATOM 1071 N ALA A 65 -0.215 -0.580 12.804 1.00 0.00 N ATOM 1072 CA ALA A 65 0.544 0.138 13.819 1.00 0.00 C ATOM 1073 C ALA A 65 2.019 -0.234 13.699 1.00 0.00 C ATOM 1074 O ALA A 65 2.901 0.624 13.758 1.00 0.00 O ATOM 1075 CB ALA A 65 0.017 -0.189 15.212 1.00 0.00 C ATOM 0 H ALA A 65 -0.924 -1.214 13.173 1.00 0.00 H new ATOM 0 HA ALA A 65 0.431 1.211 13.663 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.596 0.356 15.957 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.031 0.102 15.282 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.109 -1.260 15.394 1.00 0.00 H new ATOM 1081 N ARG A 66 2.262 -1.528 13.492 1.00 0.00 N ATOM 1082 CA ARG A 66 3.610 -2.056 13.318 1.00 0.00 C ATOM 1083 C ARG A 66 4.244 -1.470 12.060 1.00 0.00 C ATOM 1084 O ARG A 66 5.372 -0.980 12.096 1.00 0.00 O ATOM 1085 CB ARG A 66 3.572 -3.591 13.226 1.00 0.00 C ATOM 1086 CG ARG A 66 4.942 -4.245 13.057 1.00 0.00 C ATOM 1087 CD ARG A 66 4.826 -5.750 12.818 1.00 0.00 C ATOM 1088 NE ARG A 66 6.140 -6.398 12.756 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.496 -7.306 11.841 1.00 0.00 C ATOM 1090 NH1 ARG A 66 5.652 -7.668 10.885 1.00 0.00 N ATOM 1091 NH2 ARG A 66 7.701 -7.854 11.886 1.00 0.00 N ATOM 0 H ARG A 66 1.530 -2.236 13.441 1.00 0.00 H new ATOM 0 HA ARG A 66 4.212 -1.772 14.181 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.103 -3.986 14.127 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.940 -3.877 12.386 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.465 -3.783 12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.544 -4.064 13.947 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.237 -6.200 13.617 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.289 -5.929 11.887 1.00 0.00 H new ATOM 0 HE ARG A 66 6.831 -6.138 13.460 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.721 -7.253 10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.933 -8.361 10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.357 -7.583 12.618 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.973 -8.547 11.188 1.00 0.00 H new ATOM 1105 N VAL A 67 3.501 -1.497 10.949 1.00 0.00 N ATOM 1106 CA VAL A 67 4.021 -1.003 9.673 1.00 0.00 C ATOM 1107 C VAL A 67 4.382 0.481 9.787 1.00 0.00 C ATOM 1108 O VAL A 67 5.393 0.926 9.245 1.00 0.00 O ATOM 1109 CB VAL A 67 3.028 -1.223 8.489 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.408 -2.617 8.550 1.00 0.00 C ATOM 1111 CG2 VAL A 67 1.957 -0.137 8.429 1.00 0.00 C ATOM 0 H VAL A 67 2.546 -1.853 10.908 1.00 0.00 H new ATOM 0 HA VAL A 67 4.916 -1.584 9.451 1.00 0.00 H new ATOM 0 HB VAL A 67 3.602 -1.149 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.720 -2.746 7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.195 -3.368 8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.865 -2.733 9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.289 -0.331 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.385 -0.139 9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.432 0.835 8.297 1.00 0.00 H new ATOM 1121 N ALA A 68 3.561 1.232 10.522 1.00 0.00 N ATOM 1122 CA ALA A 68 3.809 2.653 10.744 1.00 0.00 C ATOM 1123 C ALA A 68 5.095 2.850 11.544 1.00 0.00 C ATOM 1124 O ALA A 68 5.948 3.666 11.185 1.00 0.00 O ATOM 1125 CB ALA A 68 2.621 3.297 11.455 1.00 0.00 C ATOM 0 H ALA A 68 2.718 0.877 10.973 1.00 0.00 H new ATOM 0 HA ALA A 68 3.931 3.141 9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.822 4.357 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.726 3.185 10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.465 2.810 12.418 1.00 0.00 H new ATOM 1131 N GLN A 69 5.236 2.073 12.616 1.00 0.00 N ATOM 1132 CA GLN A 69 6.427 2.128 13.462 1.00 0.00 C ATOM 1133 C GLN A 69 7.642 1.560 12.723 1.00 0.00 C ATOM 1134 O GLN A 69 8.786 1.838 13.080 1.00 0.00 O ATOM 1135 CB GLN A 69 6.188 1.356 14.766 1.00 0.00 C ATOM 1136 CG GLN A 69 5.050 1.924 15.611 1.00 0.00 C ATOM 1137 CD GLN A 69 4.782 1.111 16.866 1.00 0.00 C ATOM 1138 OE1 GLN A 69 3.973 0.183 16.864 1.00 0.00 O ATOM 1139 NE2 GLN A 69 5.461 1.453 17.948 1.00 0.00 N ATOM 0 H GLN A 69 4.537 1.395 12.920 1.00 0.00 H new ATOM 0 HA GLN A 69 6.630 3.171 13.704 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.968 0.315 14.528 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.105 1.361 15.355 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.290 2.949 15.893 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.142 1.963 15.009 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.123 2.228 17.911 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.323 0.942 18.820 1.00 0.00 H new ATOM 1148 N ARG A 70 7.374 0.779 11.682 1.00 0.00 N ATOM 1149 CA ARG A 70 8.419 0.180 10.857 1.00 0.00 C ATOM 1150 C ARG A 70 8.815 1.178 9.773 1.00 0.00 C ATOM 1151 O ARG A 70 9.943 1.179 9.282 1.00 0.00 O ATOM 1152 CB ARG A 70 7.882 -1.138 10.251 1.00 0.00 C ATOM 1153 CG ARG A 70 8.918 -2.060 9.589 1.00 0.00 C ATOM 1154 CD ARG A 70 9.353 -1.579 8.205 1.00 0.00 C ATOM 1155 NE ARG A 70 9.806 -2.690 7.357 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.082 -2.992 7.114 1.00 0.00 C ATOM 1157 NH1 ARG A 70 12.061 -2.276 7.653 1.00 0.00 N ATOM 1158 NH2 ARG A 70 11.380 -4.014 6.323 1.00 0.00 N ATOM 0 H ARG A 70 6.427 0.543 11.386 1.00 0.00 H new ATOM 0 HA ARG A 70 9.304 -0.054 11.449 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.382 -1.698 11.041 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.124 -0.888 9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.794 -2.133 10.233 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.500 -3.063 9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.521 -1.068 7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.157 -0.851 8.310 1.00 0.00 H new ATOM 0 HE ARG A 70 9.092 -3.274 6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.841 -1.486 8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.034 -2.516 7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.634 -4.567 5.902 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.355 -4.247 6.136 1.00 0.00 H new ATOM 1172 N LEU A 71 7.867 2.048 9.432 1.00 0.00 N ATOM 1173 CA LEU A 71 8.050 3.034 8.372 1.00 0.00 C ATOM 1174 C LEU A 71 8.538 4.372 8.944 1.00 0.00 C ATOM 1175 O LEU A 71 8.531 5.392 8.250 1.00 0.00 O ATOM 1176 CB LEU A 71 6.732 3.207 7.601 1.00 0.00 C ATOM 1177 CG LEU A 71 6.865 3.795 6.189 1.00 0.00 C ATOM 1178 CD1 LEU A 71 7.918 3.027 5.397 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.519 3.760 5.467 1.00 0.00 C ATOM 0 H LEU A 71 6.953 2.089 9.882 1.00 0.00 H new ATOM 0 HA LEU A 71 8.817 2.678 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.245 2.235 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.072 3.851 8.183 1.00 0.00 H new ATOM 0 HG LEU A 71 7.182 4.835 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.004 3.453 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.879 3.098 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.624 1.980 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.631 4.180 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.174 2.729 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.790 4.346 6.027 1.00 0.00 H new ATOM 1191 N ASN A 72 8.937 4.352 10.222 1.00 0.00 N ATOM 1192 CA ASN A 72 9.595 5.496 10.880 1.00 0.00 C ATOM 1193 C ASN A 72 8.591 6.581 11.304 1.00 0.00 C ATOM 1194 O ASN A 72 8.979 7.670 11.730 1.00 0.00 O ATOM 1195 CB ASN A 72 10.733 6.060 9.975 1.00 0.00 C ATOM 1196 CG ASN A 72 10.581 7.529 9.583 1.00 0.00 C ATOM 1197 OD1 ASN A 72 11.143 8.424 10.222 1.00 0.00 O ATOM 1198 ND2 ASN A 72 9.818 7.786 8.533 1.00 0.00 N ATOM 0 H ASN A 72 8.814 3.544 10.832 1.00 0.00 H new ATOM 0 HA ASN A 72 10.049 5.138 11.804 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.684 5.935 10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.784 5.461 9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.679 8.749 8.227 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.369 7.021 8.029 1.00 0.00 H new ATOM 1205 N TYR A 73 7.300 6.262 11.269 1.00 0.00 N ATOM 1206 CA TYR A 73 6.275 7.231 11.659 1.00 0.00 C ATOM 1207 C TYR A 73 6.287 7.445 13.178 1.00 0.00 C ATOM 1208 O TYR A 73 6.609 6.527 13.940 1.00 0.00 O ATOM 1209 CB TYR A 73 4.879 6.781 11.198 1.00 0.00 C ATOM 1210 CG TYR A 73 4.663 6.855 9.694 1.00 0.00 C ATOM 1211 CD1 TYR A 73 5.092 7.957 8.959 1.00 0.00 C ATOM 1212 CD2 TYR A 73 4.015 5.830 9.015 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.880 8.032 7.594 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.803 5.898 7.652 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.237 6.998 6.946 1.00 0.00 C ATOM 1216 OH TYR A 73 4.018 7.066 5.587 1.00 0.00 O ATOM 0 H TYR A 73 6.940 5.353 10.979 1.00 0.00 H new ATOM 0 HA TYR A 73 6.507 8.176 11.168 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.714 5.755 11.527 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.129 7.399 11.692 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.599 8.767 9.463 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.671 4.965 9.563 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.216 8.895 7.039 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.298 5.091 7.141 1.00 0.00 H new ATOM 0 HH TYR A 73 3.554 6.255 5.289 1.00 0.00 H new ATOM 1226 N PRO A 74 5.960 8.672 13.635 1.00 0.00 N ATOM 1227 CA PRO A 74 5.977 9.029 15.064 1.00 0.00 C ATOM 1228 C PRO A 74 4.816 8.398 15.848 1.00 0.00 C ATOM 1229 O PRO A 74 3.876 7.859 15.254 1.00 0.00 O ATOM 1230 CB PRO A 74 5.850 10.559 15.039 1.00 0.00 C ATOM 1231 CG PRO A 74 5.095 10.846 13.790 1.00 0.00 C ATOM 1232 CD PRO A 74 5.547 9.814 12.791 1.00 0.00 C ATOM 0 HA PRO A 74 6.874 8.667 15.566 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.321 10.928 15.917 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.829 11.039 15.031 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.020 10.782 13.959 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.302 11.854 13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.744 9.538 12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.372 10.181 12.181 1.00 0.00 H new ATOM 1240 N PRO A 75 4.876 8.451 17.200 1.00 0.00 N ATOM 1241 CA PRO A 75 3.810 7.925 18.065 1.00 0.00 C ATOM 1242 C PRO A 75 2.434 8.494 17.711 1.00 0.00 C ATOM 1243 O PRO A 75 2.322 9.576 17.127 1.00 0.00 O ATOM 1244 CB PRO A 75 4.238 8.366 19.473 1.00 0.00 C ATOM 1245 CG PRO A 75 5.718 8.518 19.384 1.00 0.00 C ATOM 1246 CD PRO A 75 5.991 9.018 17.990 1.00 0.00 C ATOM 0 HA PRO A 75 3.699 6.846 17.962 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.759 9.303 19.758 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.960 7.625 20.223 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.085 9.221 20.132 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.221 7.568 19.565 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.000 10.107 17.948 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.959 8.676 17.623 1.00 0.00 H new ATOM 1254 N GLY A 76 1.393 7.757 18.077 1.00 0.00 N ATOM 1255 CA GLY A 76 0.028 8.129 17.740 1.00 0.00 C ATOM 1256 C GLY A 76 -0.606 7.092 16.840 1.00 0.00 C ATOM 1257 O GLY A 76 -1.781 6.754 16.991 1.00 0.00 O ATOM 0 H GLY A 76 1.471 6.892 18.611 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.560 8.234 18.652 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.023 9.099 17.244 1.00 0.00 H new ATOM 1261 N LYS A 77 0.189 6.601 15.884 1.00 0.00 N ATOM 1262 CA LYS A 77 -0.177 5.458 15.039 1.00 0.00 C ATOM 1263 C LYS A 77 -1.442 5.720 14.207 1.00 0.00 C ATOM 1264 O LYS A 77 -1.938 4.820 13.525 1.00 0.00 O ATOM 1265 CB LYS A 77 -0.366 4.202 15.908 1.00 0.00 C ATOM 1266 CG LYS A 77 0.856 3.846 16.757 1.00 0.00 C ATOM 1267 CD LYS A 77 0.565 2.697 17.721 1.00 0.00 C ATOM 1268 CE LYS A 77 1.745 2.413 18.645 1.00 0.00 C ATOM 1269 NZ LYS A 77 1.422 1.378 19.665 1.00 0.00 N ATOM 0 H LYS A 77 1.109 6.987 15.673 1.00 0.00 H new ATOM 0 HA LYS A 77 0.641 5.302 14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.222 4.353 16.566 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.606 3.358 15.262 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.684 3.571 16.104 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.173 4.722 17.322 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.314 2.939 18.319 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.326 1.799 17.152 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.598 2.083 18.052 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.042 3.334 19.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.252 1.217 20.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.625 1.703 20.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.163 0.490 19.189 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.940 6.957 14.233 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.184 7.304 13.540 1.00 0.00 C ATOM 1285 C ASN A 78 -3.020 7.177 12.029 1.00 0.00 C ATOM 1286 O ASN A 78 -4.001 6.993 11.300 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.639 8.727 13.900 1.00 0.00 C ATOM 1288 CG ASN A 78 -2.654 9.797 13.464 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -2.700 10.281 12.334 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -1.765 10.186 14.363 1.00 0.00 N ATOM 0 H ASN A 78 -1.502 7.736 14.726 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.950 6.601 13.869 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.606 8.921 13.435 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.784 8.793 14.978 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.087 10.911 14.129 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.758 9.761 15.290 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.772 7.247 11.572 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.463 7.134 10.149 1.00 0.00 C ATOM 1299 C ILE A 79 -1.996 5.810 9.600 1.00 0.00 C ATOM 1300 O ILE A 79 -2.341 5.710 8.425 1.00 0.00 O ATOM 1301 CB ILE A 79 0.067 7.232 9.860 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.650 8.582 10.331 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.349 7.037 8.367 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.814 8.710 11.832 1.00 0.00 C ATOM 0 H ILE A 79 -0.956 7.382 12.169 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.949 7.973 9.652 1.00 0.00 H new ATOM 0 HB ILE A 79 0.554 6.436 10.423 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.622 8.727 9.859 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.002 9.385 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.422 7.109 8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.006 6.055 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.167 7.808 7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.229 9.689 12.070 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.157 8.600 12.315 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.488 7.933 12.192 1.00 0.00 H new ATOM 1316 N GLY A 80 -2.085 4.806 10.474 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.600 3.505 10.079 1.00 0.00 C ATOM 1318 C GLY A 80 -3.992 3.585 9.475 1.00 0.00 C ATOM 1319 O GLY A 80 -4.315 2.842 8.545 1.00 0.00 O ATOM 0 H GLY A 80 -1.808 4.873 11.453 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.920 3.054 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.623 2.848 10.949 1.00 0.00 H new ATOM 1323 N SER A 81 -4.815 4.497 9.992 1.00 0.00 N ATOM 1324 CA SER A 81 -6.174 4.675 9.492 1.00 0.00 C ATOM 1325 C SER A 81 -6.144 5.313 8.103 1.00 0.00 C ATOM 1326 O SER A 81 -6.833 4.862 7.187 1.00 0.00 O ATOM 1327 CB SER A 81 -6.998 5.535 10.463 1.00 0.00 C ATOM 1328 OG SER A 81 -8.346 5.655 10.034 1.00 0.00 O ATOM 0 H SER A 81 -4.562 5.123 10.757 1.00 0.00 H new ATOM 0 HA SER A 81 -6.649 3.697 9.416 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.970 5.091 11.458 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.551 6.526 10.543 1.00 0.00 H new ATOM 0 HG SER A 81 -8.845 6.206 10.673 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.327 6.356 7.954 1.00 0.00 N ATOM 1335 CA LEU A 82 -5.152 7.037 6.670 1.00 0.00 C ATOM 1336 C LEU A 82 -4.659 6.029 5.627 1.00 0.00 C ATOM 1337 O LEU A 82 -5.201 5.923 4.515 1.00 0.00 O ATOM 1338 CB LEU A 82 -4.152 8.205 6.847 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.996 9.193 5.666 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.123 8.615 4.552 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.363 9.616 5.124 1.00 0.00 C ATOM 0 H LEU A 82 -4.772 6.751 8.713 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.100 7.449 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.452 8.775 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.172 7.780 7.062 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.489 10.079 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.039 9.340 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.131 8.393 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.576 7.699 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.227 10.310 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.904 8.736 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.933 10.103 5.915 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.651 5.266 6.028 1.00 0.00 N ATOM 1354 CA LEU A 83 -3.035 4.260 5.179 1.00 0.00 C ATOM 1355 C LEU A 83 -4.057 3.215 4.738 1.00 0.00 C ATOM 1356 O LEU A 83 -4.227 2.975 3.542 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.876 3.588 5.929 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.179 2.434 5.189 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.601 2.914 3.859 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.091 1.817 6.066 1.00 0.00 C ATOM 0 H LEU A 83 -3.236 5.330 6.958 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.649 4.750 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.130 4.348 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.254 3.210 6.879 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.921 1.665 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.113 2.081 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.404 3.300 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.127 3.704 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.392 1.002 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.650 2.577 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.538 1.431 6.983 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.747 2.606 5.703 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.691 1.537 5.393 1.00 0.00 C ATOM 1374 C ARG A 84 -6.878 2.064 4.588 1.00 0.00 C ATOM 1375 O ARG A 84 -7.351 1.396 3.672 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.212 0.839 6.657 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.127 -0.340 6.328 1.00 0.00 C ATOM 1378 CD ARG A 84 -7.956 -0.811 7.516 1.00 0.00 C ATOM 1379 NE ARG A 84 -8.978 -1.769 7.087 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.071 -1.428 6.394 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.346 -0.151 6.161 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -10.899 -2.357 5.940 1.00 0.00 N ATOM 0 H ARG A 84 -4.670 2.833 6.695 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.142 0.808 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.368 0.487 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.755 1.558 7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.797 -0.055 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.521 -1.170 5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.306 -1.273 8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.431 0.044 7.996 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.849 -2.751 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.723 0.577 6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.181 0.103 5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.706 -3.343 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.729 -2.087 5.413 1.00 0.00 H new ATOM 1396 N SER A 85 -7.360 3.256 4.929 1.00 0.00 N ATOM 1397 CA SER A 85 -8.518 3.828 4.247 1.00 0.00 C ATOM 1398 C SER A 85 -8.213 4.031 2.764 1.00 0.00 C ATOM 1399 O SER A 85 -9.046 3.732 1.903 1.00 0.00 O ATOM 1400 CB SER A 85 -8.947 5.146 4.905 1.00 0.00 C ATOM 1401 OG SER A 85 -7.886 6.086 4.918 1.00 0.00 O ATOM 0 H SER A 85 -6.970 3.841 5.668 1.00 0.00 H new ATOM 0 HA SER A 85 -9.349 3.128 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.798 5.563 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.278 4.954 5.926 1.00 0.00 H new ATOM 0 HG SER A 85 -7.034 5.620 4.786 1.00 0.00 H new ATOM 1407 N HIS A 86 -7.008 4.527 2.462 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.578 4.645 1.069 1.00 0.00 C ATOM 1409 C HIS A 86 -6.341 3.265 0.467 1.00 0.00 C ATOM 1410 O HIS A 86 -6.692 3.024 -0.683 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.318 5.510 0.925 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.583 6.981 1.023 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -6.019 7.742 -0.043 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -5.476 7.832 2.066 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -6.165 8.993 0.345 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -5.843 9.077 1.620 1.00 0.00 N ATOM 0 H HIS A 86 -6.326 4.847 3.150 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.380 5.142 0.524 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.603 5.226 1.697 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.850 5.297 -0.036 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.160 7.579 3.067 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.493 9.812 -0.278 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.863 9.927 2.183 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.761 2.358 1.248 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.508 1.000 0.773 1.00 0.00 C ATOM 1427 C TYR A 87 -6.811 0.380 0.275 1.00 0.00 C ATOM 1428 O TYR A 87 -6.887 -0.104 -0.851 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.901 0.130 1.892 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.360 -1.217 1.417 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.210 -2.213 0.939 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.993 -1.487 1.442 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.717 -3.428 0.503 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.495 -2.703 1.006 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.361 -3.669 0.538 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.872 -4.877 0.097 1.00 0.00 O ATOM 0 H TYR A 87 -5.459 2.536 2.206 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.791 1.046 -0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.093 0.685 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.661 -0.045 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.274 -2.032 0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.310 -0.734 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.393 -4.186 0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.432 -2.894 1.032 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.896 -4.887 0.187 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.835 0.463 1.113 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.122 -0.184 0.869 1.00 0.00 C ATOM 1448 C GLU A 88 -9.712 0.196 -0.497 1.00 0.00 C ATOM 1449 O GLU A 88 -10.339 -0.632 -1.158 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.100 0.194 1.993 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.427 -0.556 1.953 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.375 -0.120 3.061 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.225 -0.595 4.207 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -13.275 0.704 2.794 1.00 0.00 O ATOM 0 H GLU A 88 -7.798 0.985 1.989 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.961 -1.262 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.620 0.007 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.300 1.264 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.904 -0.394 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.239 -1.626 2.040 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.499 1.440 -0.929 1.00 0.00 N ATOM 1462 CA ARG A 89 -10.128 1.940 -2.157 1.00 0.00 C ATOM 1463 C ARG A 89 -9.105 2.310 -3.237 1.00 0.00 C ATOM 1464 O ARG A 89 -9.482 2.707 -4.338 1.00 0.00 O ATOM 1465 CB ARG A 89 -11.024 3.142 -1.822 1.00 0.00 C ATOM 1466 CG ARG A 89 -12.267 2.759 -1.024 1.00 0.00 C ATOM 1467 CD ARG A 89 -13.054 3.977 -0.557 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.336 4.737 0.470 1.00 0.00 N ATOM 1469 CZ ARG A 89 -12.464 4.528 1.786 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -13.284 3.588 2.244 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -11.776 5.267 2.645 1.00 0.00 N ATOM 0 H ARG A 89 -8.902 2.116 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.733 1.133 -2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.446 3.871 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.330 3.629 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.910 2.128 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.972 2.167 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.259 4.624 -1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.018 3.656 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.699 5.472 0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.822 3.019 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.375 3.436 3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.149 5.995 2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.874 5.107 3.648 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.813 2.184 -2.927 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.757 2.508 -3.897 1.00 0.00 C ATOM 1487 C ILE A 90 -5.819 1.317 -4.115 1.00 0.00 C ATOM 1488 O ILE A 90 -5.614 0.871 -5.244 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.916 3.742 -3.451 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -6.813 4.983 -3.269 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.791 4.031 -4.447 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -7.512 5.441 -4.535 1.00 0.00 C ATOM 0 H ILE A 90 -7.472 1.863 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.262 2.748 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.462 3.505 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.566 4.764 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.205 5.803 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.221 4.897 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.132 3.165 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.218 4.237 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.121 6.318 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.768 5.695 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.150 4.640 -4.909 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.266 0.794 -3.023 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.217 -0.226 -3.099 1.00 0.00 C ATOM 1506 C VAL A 91 -4.798 -1.642 -3.008 1.00 0.00 C ATOM 1507 O VAL A 91 -4.101 -2.626 -3.242 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.165 -0.021 -1.976 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.960 -0.944 -2.167 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.728 1.441 -1.907 1.00 0.00 C ATOM 0 H VAL A 91 -5.526 1.059 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.732 -0.115 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.633 -0.283 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.242 -0.776 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.290 -1.983 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.488 -0.732 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.991 1.563 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.288 1.735 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.593 2.070 -1.698 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.082 -1.744 -2.683 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.731 -3.047 -2.531 1.00 0.00 C ATOM 1522 C TYR A 92 -6.684 -3.839 -3.851 1.00 0.00 C ATOM 1523 O TYR A 92 -6.406 -5.039 -3.840 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.180 -2.883 -2.035 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.688 -4.032 -1.171 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.977 -5.224 -1.048 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.884 -3.914 -0.468 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.444 -6.256 -0.258 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.354 -4.943 0.324 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.632 -6.111 0.425 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.097 -7.135 1.215 1.00 0.00 O ATOM 0 H TYR A 92 -6.695 -0.945 -2.520 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.182 -3.614 -1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.252 -1.957 -1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.836 -2.777 -2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.045 -5.343 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.455 -3.000 -0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.880 -7.173 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.284 -4.832 0.862 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.441 -7.331 1.917 1.00 0.00 H new ATOM 1541 N PRO A 93 -6.956 -3.193 -5.015 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.748 -3.832 -6.324 1.00 0.00 C ATOM 1543 C PRO A 93 -5.317 -4.361 -6.476 1.00 0.00 C ATOM 1544 O PRO A 93 -5.080 -5.364 -7.153 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.021 -2.700 -7.327 1.00 0.00 C ATOM 1546 CG PRO A 93 -7.944 -1.778 -6.606 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.524 -1.832 -5.160 1.00 0.00 C ATOM 0 HA PRO A 93 -7.393 -4.699 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.100 -2.194 -7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.475 -3.081 -8.242 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.870 -0.764 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.982 -2.090 -6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.788 -1.063 -4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.370 -1.677 -4.490 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.369 -3.685 -5.823 1.00 0.00 N ATOM 1556 CA TYR A 94 -2.961 -4.075 -5.879 1.00 0.00 C ATOM 1557 C TYR A 94 -2.693 -5.312 -5.027 1.00 0.00 C ATOM 1558 O TYR A 94 -1.743 -6.044 -5.290 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.048 -2.920 -5.455 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.877 -1.867 -6.531 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.863 -1.981 -7.476 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.727 -0.767 -6.611 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.699 -1.035 -8.465 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.567 0.185 -7.597 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.551 0.048 -8.520 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.392 0.989 -9.511 1.00 0.00 O ATOM 0 H TYR A 94 -4.553 -2.863 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.734 -4.324 -6.916 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.457 -2.452 -4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.069 -3.319 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.192 -2.826 -7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.524 -0.657 -5.890 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.092 -1.141 -9.193 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.234 1.033 -7.646 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.889 1.753 -9.159 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.522 -5.539 -4.009 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.479 -6.797 -3.264 1.00 0.00 C ATOM 1578 C GLU A 95 -3.765 -7.944 -4.230 1.00 0.00 C ATOM 1579 O GLU A 95 -2.955 -8.855 -4.389 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.495 -6.785 -2.098 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.791 -8.158 -1.481 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.561 -8.864 -0.917 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -3.190 -8.595 0.249 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -2.987 -9.721 -1.628 1.00 0.00 O ATOM 0 H GLU A 95 -4.225 -4.876 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.490 -6.929 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.119 -6.125 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.431 -6.355 -2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.524 -8.036 -0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.247 -8.795 -2.239 1.00 0.00 H new ATOM 1591 N MET A 96 -4.902 -7.855 -4.916 1.00 0.00 N ATOM 1592 CA MET A 96 -5.306 -8.876 -5.884 1.00 0.00 C ATOM 1593 C MET A 96 -4.321 -8.942 -7.059 1.00 0.00 C ATOM 1594 O MET A 96 -4.144 -9.994 -7.676 1.00 0.00 O ATOM 1595 CB MET A 96 -6.729 -8.595 -6.390 1.00 0.00 C ATOM 1596 CG MET A 96 -7.246 -9.626 -7.391 1.00 0.00 C ATOM 1597 SD MET A 96 -8.953 -9.322 -7.889 1.00 0.00 S ATOM 1598 CE MET A 96 -9.818 -9.555 -6.337 1.00 0.00 C ATOM 0 H MET A 96 -5.563 -7.084 -4.820 1.00 0.00 H new ATOM 0 HA MET A 96 -5.296 -9.844 -5.383 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.407 -8.560 -5.537 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.750 -7.609 -6.855 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.608 -9.619 -8.275 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.172 -10.621 -6.952 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.776 -10.041 -6.524 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.217 -10.179 -5.676 1.00 0.00 H new ATOM 0 HE3 MET A 96 -9.988 -8.587 -5.866 1.00 0.00 H new ATOM 1608 N TYR A 97 -3.691 -7.811 -7.366 1.00 0.00 N ATOM 1609 CA TYR A 97 -2.676 -7.748 -8.419 1.00 0.00 C ATOM 1610 C TYR A 97 -1.418 -8.512 -7.998 1.00 0.00 C ATOM 1611 O TYR A 97 -0.954 -9.407 -8.709 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.343 -6.279 -8.734 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.150 -6.073 -9.659 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.157 -6.550 -10.968 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.015 -5.395 -9.219 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.071 -6.359 -11.804 1.00 0.00 C ATOM 1617 CE2 TYR A 97 1.071 -5.202 -10.051 1.00 0.00 C ATOM 1618 CZ TYR A 97 1.039 -5.685 -11.342 1.00 0.00 C ATOM 1619 OH TYR A 97 2.124 -5.497 -12.171 1.00 0.00 O ATOM 0 H TYR A 97 -3.865 -6.921 -6.899 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.069 -8.219 -9.320 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.219 -5.813 -9.186 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.151 -5.757 -7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.024 -7.078 -11.336 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.016 -5.013 -8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.093 -6.737 -12.815 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.942 -4.675 -9.691 1.00 0.00 H new ATOM 0 HH TYR A 97 2.794 -4.948 -11.713 1.00 0.00 H new ATOM 1629 N GLN A 98 -0.892 -8.162 -6.826 1.00 0.00 N ATOM 1630 CA GLN A 98 0.325 -8.776 -6.302 1.00 0.00 C ATOM 1631 C GLN A 98 0.113 -10.269 -6.074 1.00 0.00 C ATOM 1632 O GLN A 98 0.899 -11.097 -6.542 1.00 0.00 O ATOM 1633 CB GLN A 98 0.750 -8.092 -4.992 1.00 0.00 C ATOM 1634 CG GLN A 98 2.009 -8.681 -4.357 1.00 0.00 C ATOM 1635 CD GLN A 98 3.227 -8.614 -5.267 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.356 -7.711 -6.092 1.00 0.00 O ATOM 1637 NE2 GLN A 98 4.128 -9.575 -5.123 1.00 0.00 N ATOM 0 H GLN A 98 -1.294 -7.450 -6.217 1.00 0.00 H new ATOM 0 HA GLN A 98 1.120 -8.646 -7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.916 -7.032 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.070 -8.160 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.225 -8.147 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.821 -9.721 -4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.986 -10.307 -4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.964 -9.582 -5.708 1.00 0.00 H new ATOM 1646 N SER A 99 -0.956 -10.611 -5.361 1.00 0.00 N ATOM 1647 CA SER A 99 -1.284 -12.004 -5.102 1.00 0.00 C ATOM 1648 C SER A 99 -1.611 -12.722 -6.411 1.00 0.00 C ATOM 1649 O SER A 99 -1.208 -13.862 -6.619 1.00 0.00 O ATOM 1650 CB SER A 99 -2.450 -12.109 -4.109 1.00 0.00 C ATOM 1651 OG SER A 99 -3.580 -11.381 -4.554 1.00 0.00 O ATOM 0 H SER A 99 -1.608 -9.941 -4.954 1.00 0.00 H new ATOM 0 HA SER A 99 -0.418 -12.490 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.721 -13.156 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.135 -11.734 -3.135 1.00 0.00 H new ATOM 0 HG SER A 99 -3.512 -10.452 -4.248 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.306 -12.035 -7.311 1.00 0.00 N ATOM 1658 CA GLY A 100 -2.639 -12.624 -8.596 1.00 0.00 C ATOM 1659 C GLY A 100 -1.397 -12.993 -9.384 1.00 0.00 C ATOM 1660 O GLY A 100 -1.372 -14.006 -10.091 1.00 0.00 O ATOM 0 H GLY A 100 -2.644 -11.082 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.249 -13.514 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.241 -11.922 -9.173 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.358 -12.177 -9.247 1.00 0.00 N ATOM 1665 CA ALA A 101 0.916 -12.426 -9.914 1.00 0.00 C ATOM 1666 C ALA A 101 1.700 -13.537 -9.213 1.00 0.00 C ATOM 1667 O ALA A 101 2.197 -14.464 -9.859 1.00 0.00 O ATOM 1668 CB ALA A 101 1.740 -11.145 -9.968 1.00 0.00 C ATOM 0 H ALA A 101 -0.373 -11.332 -8.676 1.00 0.00 H new ATOM 0 HA ALA A 101 0.708 -12.756 -10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.688 -11.343 -10.468 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.191 -10.382 -10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.931 -10.792 -8.955 1.00 0.00 H new ATOM 1674 N ASN A 102 1.795 -13.446 -7.891 1.00 0.00 N ATOM 1675 CA ASN A 102 2.610 -14.378 -7.104 1.00 0.00 C ATOM 1676 C ASN A 102 1.828 -15.648 -6.752 1.00 0.00 C ATOM 1677 O ASN A 102 2.194 -16.753 -7.170 1.00 0.00 O ATOM 1678 CB ASN A 102 3.096 -13.683 -5.820 1.00 0.00 C ATOM 1679 CG ASN A 102 3.995 -14.560 -4.957 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.966 -14.473 -3.730 1.00 0.00 O ATOM 1681 ND2 ASN A 102 4.818 -15.387 -5.586 1.00 0.00 N ATOM 0 H ASN A 102 1.318 -12.736 -7.336 1.00 0.00 H new ATOM 0 HA ASN A 102 3.468 -14.673 -7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.637 -12.776 -6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.231 -13.375 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.455 -15.978 -5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.815 -15.433 -6.605 1.00 0.00 H new ATOM 1688 N LEU A 103 0.742 -15.472 -6.005 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.106 -16.571 -5.537 1.00 0.00 C ATOM 1690 C LEU A 103 -1.312 -15.978 -4.806 1.00 0.00 C ATOM 1691 O LEU A 103 -1.153 -15.186 -3.875 1.00 0.00 O ATOM 1692 CB LEU A 103 0.694 -17.548 -4.641 1.00 0.00 C ATOM 1693 CG LEU A 103 1.474 -16.926 -3.457 1.00 0.00 C ATOM 1694 CD1 LEU A 103 0.616 -16.851 -2.193 1.00 0.00 C ATOM 1695 CD2 LEU A 103 2.761 -17.708 -3.191 1.00 0.00 C ATOM 0 H LEU A 103 0.420 -14.553 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.460 -17.155 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.001 -18.288 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.403 -18.084 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 103 1.738 -15.906 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.198 -16.409 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.263 -16.236 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.301 -17.855 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.295 -17.256 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.515 -18.742 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.391 -17.685 -4.080 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.518 -16.311 -5.259 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.722 -15.646 -4.768 1.00 0.00 C ATOM 1709 C VAL A 104 -4.584 -16.572 -3.910 1.00 0.00 C ATOM 1710 O VAL A 104 -5.218 -17.508 -4.402 1.00 0.00 O ATOM 1711 CB VAL A 104 -4.560 -15.046 -5.933 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -4.960 -16.116 -6.949 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.790 -14.310 -5.398 1.00 0.00 C ATOM 0 H VAL A 104 -2.687 -17.032 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.385 -14.827 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.930 -14.323 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.544 -15.659 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.064 -16.571 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.558 -16.882 -6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.360 -13.899 -6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.416 -15.006 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.472 -13.500 -4.742 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.574 -16.308 -2.609 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.448 -16.983 -1.657 1.00 0.00 C ATOM 1725 C CYS A 105 -6.191 -15.938 -0.824 1.00 0.00 C ATOM 1726 O CYS A 105 -6.929 -16.267 0.107 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.626 -17.910 -0.748 1.00 0.00 C ATOM 1728 SG CYS A 105 -5.612 -18.860 0.432 1.00 0.00 S ATOM 0 H CYS A 105 -3.957 -15.617 -2.183 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.173 -17.591 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.060 -18.602 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -3.901 -17.310 -0.198 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.663 -18.174 0.771 1.00 0.00 H new ATOM 1734 N ASN A 106 -5.992 -14.669 -1.183 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.587 -13.537 -0.468 1.00 0.00 C ATOM 1736 C ASN A 106 -7.945 -13.136 -1.057 1.00 0.00 C ATOM 1737 O ASN A 106 -8.410 -12.016 -0.846 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.623 -12.334 -0.469 1.00 0.00 C ATOM 1739 CG ASN A 106 -4.433 -12.532 0.461 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.531 -13.218 1.482 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -3.307 -11.923 0.127 1.00 0.00 N ATOM 0 H ASN A 106 -5.414 -14.396 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.759 -13.854 0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.262 -12.164 -1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.167 -11.438 -0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.483 -12.013 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.263 -11.364 -0.725 1.00 0.00 H new ATOM 1748 N THR A 107 -8.593 -14.061 -1.762 1.00 0.00 N ATOM 1749 CA THR A 107 -9.878 -13.781 -2.399 1.00 0.00 C ATOM 1750 C THR A 107 -10.995 -13.579 -1.365 1.00 0.00 C ATOM 1751 O THR A 107 -11.828 -12.682 -1.508 1.00 0.00 O ATOM 1752 CB THR A 107 -10.262 -14.918 -3.375 1.00 0.00 C ATOM 1753 OG1 THR A 107 -10.084 -16.190 -2.735 1.00 0.00 O ATOM 1754 CG2 THR A 107 -9.414 -14.864 -4.642 1.00 0.00 C ATOM 0 H THR A 107 -8.250 -15.010 -1.907 1.00 0.00 H new ATOM 0 HA THR A 107 -9.765 -12.852 -2.958 1.00 0.00 H new ATOM 0 HB THR A 107 -11.308 -14.787 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.330 -16.906 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.706 -15.675 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.568 -13.908 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.361 -14.971 -4.380 1.00 0.00 H new ATOM 1762 N ARG A 108 -11.000 -14.401 -0.313 1.00 0.00 N ATOM 1763 CA ARG A 108 -12.022 -14.307 0.740 1.00 0.00 C ATOM 1764 C ARG A 108 -11.848 -13.052 1.609 1.00 0.00 C ATOM 1765 O ARG A 108 -12.841 -12.419 1.955 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.057 -15.577 1.614 1.00 0.00 C ATOM 1767 CG ARG A 108 -13.056 -16.628 1.128 1.00 0.00 C ATOM 1768 CD ARG A 108 -12.749 -17.114 -0.283 1.00 0.00 C ATOM 1769 NE ARG A 108 -13.848 -17.915 -0.833 1.00 0.00 N ATOM 1770 CZ ARG A 108 -13.688 -18.981 -1.619 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -12.470 -19.430 -1.907 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -14.754 -19.608 -2.102 1.00 0.00 N ATOM 0 H ARG A 108 -10.311 -15.138 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.982 -14.221 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.061 -16.019 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.306 -15.297 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -13.047 -17.477 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.062 -16.208 1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.564 -16.257 -0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.836 -17.709 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.801 -17.638 -0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.649 -18.959 -1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.356 -20.246 -2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.690 -19.274 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.637 -20.423 -2.703 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.605 -12.691 2.014 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.324 -11.415 2.688 1.00 0.00 C ATOM 1788 C PRO A 109 -11.141 -10.235 2.147 1.00 0.00 C ATOM 1789 O PRO A 109 -11.553 -9.365 2.912 1.00 0.00 O ATOM 1790 CB PRO A 109 -8.838 -11.225 2.407 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.292 -12.611 2.471 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.380 -13.519 1.935 1.00 0.00 C ATOM 0 HA PRO A 109 -10.591 -11.443 3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.669 -10.772 1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.370 -10.575 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.383 -12.699 1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.030 -12.879 3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.173 -13.829 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.472 -14.427 2.531 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.378 -10.212 0.835 1.00 0.00 N ATOM 1801 CA PHE A 110 -12.223 -9.181 0.223 1.00 0.00 C ATOM 1802 C PHE A 110 -13.636 -9.242 0.802 1.00 0.00 C ATOM 1803 O PHE A 110 -14.216 -8.219 1.181 1.00 0.00 O ATOM 1804 CB PHE A 110 -12.268 -9.341 -1.307 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.039 -8.820 -2.014 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -9.862 -9.556 -2.039 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -11.062 -7.586 -2.651 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -8.737 -9.073 -2.682 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -9.941 -7.099 -3.295 1.00 0.00 C ATOM 1810 CZ PHE A 110 -8.777 -7.843 -3.311 1.00 0.00 C ATOM 0 H PHE A 110 -10.999 -10.892 0.176 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.789 -8.208 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -12.394 -10.396 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -13.145 -8.819 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -9.825 -10.518 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -11.969 -6.999 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -7.828 -9.656 -2.693 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.975 -6.137 -3.786 1.00 0.00 H new ATOM 0 HZ PHE A 110 -7.900 -7.464 -3.814 1.00 0.00 H new ATOM 1820 N ASP A 111 -14.175 -10.453 0.874 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.503 -10.687 1.439 1.00 0.00 C ATOM 1822 C ASP A 111 -15.485 -10.410 2.942 1.00 0.00 C ATOM 1823 O ASP A 111 -16.472 -9.946 3.516 1.00 0.00 O ATOM 1824 CB ASP A 111 -15.935 -12.138 1.176 1.00 0.00 C ATOM 1825 CG ASP A 111 -17.364 -12.418 1.618 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -17.600 -12.610 2.830 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -18.265 -12.438 0.751 1.00 0.00 O ATOM 0 H ASP A 111 -13.709 -11.298 0.545 1.00 0.00 H new ATOM 0 HA ASP A 111 -16.216 -10.014 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.840 -12.353 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.259 -12.814 1.699 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.339 -10.685 3.558 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.149 -10.495 4.997 1.00 0.00 C ATOM 1834 C ASN A 112 -14.135 -9.010 5.357 1.00 0.00 C ATOM 1835 O ASN A 112 -14.715 -8.599 6.361 1.00 0.00 O ATOM 1836 CB ASN A 112 -12.839 -11.162 5.446 1.00 0.00 C ATOM 1837 CG ASN A 112 -12.543 -10.943 6.922 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -11.896 -9.967 7.299 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -13.006 -11.856 7.766 1.00 0.00 N ATOM 0 H ASN A 112 -13.515 -11.046 3.076 1.00 0.00 H new ATOM 0 HA ASN A 112 -14.985 -10.962 5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -12.894 -12.232 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.014 -10.769 4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.829 -11.762 8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -13.539 -12.652 7.415 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.467 -8.208 4.534 1.00 0.00 N ATOM 1847 CA GLU A 113 -13.424 -6.763 4.734 1.00 0.00 C ATOM 1848 C GLU A 113 -14.770 -6.145 4.374 1.00 0.00 C ATOM 1849 O GLU A 113 -15.189 -5.146 4.966 1.00 0.00 O ATOM 1850 CB GLU A 113 -12.297 -6.137 3.901 1.00 0.00 C ATOM 1851 CG GLU A 113 -10.897 -6.536 4.366 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.552 -5.985 5.744 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -10.881 -6.636 6.760 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -9.962 -4.885 5.818 1.00 0.00 O ATOM 0 H GLU A 113 -12.947 -8.535 3.720 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.219 -6.560 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.422 -6.430 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.388 -5.051 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.822 -7.623 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.164 -6.179 3.643 1.00 0.00 H new